2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine

C15H22N6 — CID 136905595

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
SMILESCc1cc(C)nc(CCNC[C@@H]2CNc3ccnn3C2)n1
InChIInChI=1S/C15H22N6/c1-11-7-12(2)20-14(19-11)3-5-16-8-13-9-17-15-4-6-18-21(15)10-13/h4,6-7,13,16-17H,3,5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyMSEDZNLTLWXGCX-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.16
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine

2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (PubChem CID 136905595) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
PubChem CID136905595
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
SMILESCc1cc(C)nc(CCNC[C@@H]2CNc3ccnn3C2)n1
InChIInChI=1S/C15H22N6/c1-11-7-12(2)20-14(19-11)3-5-16-8-13-9-17-15-4-6-18-21(15)10-13/h4,6-7,13,16-17H,3,5,8-10H2,1-2H3/t13-/m1/s1
InChIKeyMSEDZNLTLWXGCX-CYBMUJFWSA-N
XLogP1.16
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (CID 136905595) is 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine is Cc1cc(C)nc(CCNC[C@@H]2CNc3ccnn3C2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The InChIKey is MSEDZNLTLWXGCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-7-12(2)20-14(19-11)3-5-16-8-13-9-17-15-4-6-18-21(15)10-13/h4,6-7,13,16-17H,3,5,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine is sourced from PubChem (CID 136905595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).