4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C14H22N4 — CID 114096684

IUPAC4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2(C3CC3)CC2)c1C
InChIInChI=1S/C14H22N4/c1-9-12(15-3)17-10(2)18-13(9)16-8-14(6-7-14)11-4-5-11/h11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIBBSFYSVEADXMI-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.74
Rot. Bonds5

About 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 114096684) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID114096684
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC2(C3CC3)CC2)c1C
InChIInChI=1S/C14H22N4/c1-9-12(15-3)17-10(2)18-13(9)16-8-14(6-7-14)11-4-5-11/h11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIBBSFYSVEADXMI-UHFFFAOYSA-N
XLogP2.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80834957
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 115409413
4-N-(3,3-dimethylcyclopentyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114542178
[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366345
6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131306
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
1-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80908971
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
CID 114342954
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 114096684) is 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCC2(C3CC3)CC2)c1C.
What is the InChIKey of 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is IBBSFYSVEADXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9-12(15-3)17-10(2)18-13(9)16-8-14(6-7-14)11-4-5-11/h11H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-cyclopropylcyclopropyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114096684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).