2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine

C15H24N4O — CID 80984918

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)CC1CCOCC1
InChIInChI=1S/C15H24N4O/c1-10-13(16)17-14(12-3-4-12)18-15(10)19(2)9-11-5-7-20-8-6-11/h11-12H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyIHOFXDRFJIAIOE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80984918) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80984918
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)CC1CCOCC1
InChIInChI=1S/C15H24N4O/c1-10-13(16)17-14(12-3-4-12)18-15(10)19(2)9-11-5-7-20-8-6-11/h11-12H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyIHOFXDRFJIAIOE-UHFFFAOYSA-N
XLogP2.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80845882
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80910084
5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103363007
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994161
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80845884
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (CID 80984918) is 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1N(C)CC1CCOCC1.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IHOFXDRFJIAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-13(16)17-14(12-3-4-12)18-15(10)19(2)9-11-5-7-20-8-6-11/h11-12H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 276.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80984918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).