4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane

C16H23ClN6S — CID 161203675

IUPAC4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
SMILESC.Cc1nc(N2CC[C@@H](CN)C2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C15H19ClN6S.CH4/c1-9-15(23-11-2-4-19-14(18)13(11)16)20-7-12(21-9)22-5-3-10(6-17)8-22;/h2,4,7,10H,3,5-6,8,17H2,1H3,(H2,18,19);1H4/t10-;/m0./s1
InChIKeyUVHXNPNPJZEDIT-PPHPATTJSA-N
MW366.92 g/mol
LogP2.99
Rot. Bonds4

About 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane

4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane (PubChem CID 161203675) has the molecular formula C16H23ClN6S and a molecular weight of 366.92 g/mol. Its IUPAC name is 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane.

Molecular Properties

Compound Name4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
PubChem CID161203675
Molecular FormulaC16H23ClN6S
Molecular Weight366.92 g/mol
Exact Mass366.14
IUPAC Name4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
SMILESC.Cc1nc(N2CC[C@@H](CN)C2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C15H19ClN6S.CH4/c1-9-15(23-11-2-4-19-14(18)13(11)16)20-7-12(21-9)22-5-3-10(6-17)8-22;/h2,4,7,10H,3,5-6,8,17H2,1H3,(H2,18,19);1H4/t10-;/m0./s1
InChIKeyUVHXNPNPJZEDIT-PPHPATTJSA-N
XLogP2.99
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine
CID 123544511
6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
CID 164860834
(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182942
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
[3-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methylcarbamic acid
CID 170430816
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
CID 145210267
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3S,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 158312745

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane?
The IUPAC name of 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane (CID 161203675) is 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane.
What is the SMILES notation for 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane?
The canonical SMILES for 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane is C.Cc1nc(N2CC[C@@H](CN)C2)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane?
The InChIKey is UVHXNPNPJZEDIT-PPHPATTJSA-N. The full InChI is InChI=1S/C15H19ClN6S.CH4/c1-9-15(23-11-2-4-19-14(18)13(11)16)20-7-12(21-9)22-5-3-10(6-17)8-22;/h2,4,7,10H,3,5-6,8,17H2,1H3,(H2,18,19);1H4/t10-;/m0./s1.
What are the key properties of 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane?
4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane has a molecular weight of 366.92 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane is sourced from PubChem (CID 161203675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).