(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C16H24N6 — CID 97320086

IUPAC(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc(N[C@H]2CCCn3ncnc32)nc(C)c1CC(C)C
InChIInChI=1S/C16H24N6/c1-10(2)8-13-11(3)19-16(20-12(13)4)21-14-6-5-7-22-15(14)17-9-18-22/h9-10,14H,5-8H2,1-4H3,(H,19,20,21)/t14-/m0/s1
InChIKeyZWCYYFOXCFPNDI-AWEZNQCLSA-N
MW300.41 g/mol
LogP2.83
Rot. Bonds4

About (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 97320086) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID97320086
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc(N[C@H]2CCCn3ncnc32)nc(C)c1CC(C)C
InChIInChI=1S/C16H24N6/c1-10(2)8-13-11(3)19-16(20-12(13)4)21-14-6-5-7-22-15(14)17-9-18-22/h9-10,14H,5-8H2,1-4H3,(H,19,20,21)/t14-/m0/s1
InChIKeyZWCYYFOXCFPNDI-AWEZNQCLSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 97320086) is (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Cc1nc(N[C@H]2CCCn3ncnc32)nc(C)c1CC(C)C.
What is the InChIKey of (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is ZWCYYFOXCFPNDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6/c1-10(2)8-13-11(3)19-16(20-12(13)4)21-14-6-5-7-22-15(14)17-9-18-22/h9-10,14H,5-8H2,1-4H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 300.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 97320086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).