5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine

C10H13ClN6 — CID 97320772

IUPAC5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
SMILESCC[C@H](Nc1ncc(Cl)cn1)c1n[nH]c(C)n1
InChIInChI=1S/C10H13ClN6/c1-3-8(9-14-6(2)16-17-9)15-10-12-4-7(11)5-13-10/h4-5,8H,3H2,1-2H3,(H,12,13,15)(H,14,16,17)/t8-/m0/s1
InChIKeyHLZKVVSEPDQDSC-QMMMGPOBSA-N
MW252.71 g/mol
LogP2.12
Rot. Bonds4

About 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine

5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine (PubChem CID 97320772) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
PubChem CID97320772
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
SMILESCC[C@H](Nc1ncc(Cl)cn1)c1n[nH]c(C)n1
InChIInChI=1S/C10H13ClN6/c1-3-8(9-14-6(2)16-17-9)15-10-12-4-7(11)5-13-10/h4-5,8H,3H2,1-2H3,(H,12,13,15)(H,14,16,17)/t8-/m0/s1
InChIKeyHLZKVVSEPDQDSC-QMMMGPOBSA-N
XLogP2.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 97320773
2-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
CID 154880456
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
CID 130892533
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
CID 124728866
5-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-nitroaniline
CID 97320775
N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide
CID 167754681
1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 50988205
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine (CID 97320772) is 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine is CC[C@H](Nc1ncc(Cl)cn1)c1n[nH]c(C)n1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
The InChIKey is HLZKVVSEPDQDSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-3-8(9-14-6(2)16-17-9)15-10-12-4-7(11)5-13-10/h4-5,8H,3H2,1-2H3,(H,12,13,15)(H,14,16,17)/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine?
5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine has a molecular weight of 252.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 97320772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).