2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine

C17H24ClN3 — CID 146474593

IUPAC2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC23CC4CC(CC(C)(C4)C2)C3)c1C
InChIInChI=1S/C17H24ClN3/c1-10-11(2)19-15(18)20-14(10)21-17-7-12-4-13(8-17)6-16(3,5-12)9-17/h12-13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyYHHILTDRPYRKQQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.52
Rot. Bonds2

About 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine (PubChem CID 146474593) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine
PubChem CID146474593
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC23CC4CC(CC(C)(C4)C2)C3)c1C
InChIInChI=1S/C17H24ClN3/c1-10-11(2)19-15(18)20-14(10)21-17-7-12-4-13(8-17)6-16(3,5-12)9-17/h12-13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyYHHILTDRPYRKQQ-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine (CID 146474593) is 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine is Cc1nc(Cl)nc(NC23CC4CC(CC(C)(C4)C2)C3)c1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine?
The InChIKey is YHHILTDRPYRKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-10-11(2)19-15(18)20-14(10)21-17-7-12-4-13(8-17)6-16(3,5-12)9-17/h12-13H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine has a molecular weight of 305.85 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-(3-methyl-1-adamantyl)pyrimidin-4-amine is sourced from PubChem (CID 146474593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).