[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol

C15H20ClN7OS — CID 118249050

IUPAC[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C15H20ClN7OS/c16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22)
InChIKeyBTMHSBJWZWRFEO-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.13
Rot. Bonds4

About [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol

[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 118249050) has the molecular formula C15H20ClN7OS and a molecular weight of 381.89 g/mol. Its IUPAC name is [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID118249050
Molecular FormulaC15H20ClN7OS
Molecular Weight381.89 g/mol
Exact Mass381.11
IUPAC Name[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C15H20ClN7OS/c16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22)
InChIKeyBTMHSBJWZWRFEO-UHFFFAOYSA-N
XLogP1.13
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 118249050) is [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol is Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is BTMHSBJWZWRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7OS/c16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22).
What are the key properties of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol?
[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 381.89 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 118249050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).