4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C11H18N4 — CID 126857010

IUPAC4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCC2)n1
InChIInChI=1S/C11H18N4/c1-14(2)11-12-8-7-10(13-11)15(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyGKCULWWNHZONAS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.53
Rot. Bonds3

About 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 126857010) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID126857010
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCC2)n1
InChIInChI=1S/C11H18N4/c1-14(2)11-12-8-7-10(13-11)15(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3
InChIKeyGKCULWWNHZONAS-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
4-N-(2-chloroethyl)-4-N-cyclopentyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830311
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172904535
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172902469
4-N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903582
4-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 175649102
2-N,2-N,4-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172904147

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 126857010) is 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCC2)n1.
What is the InChIKey of 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is GKCULWWNHZONAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14(2)11-12-8-7-10(13-11)15(3)9-5-4-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 126857010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).