4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C14H24N4 — CID 107403115

IUPAC4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(CC)CC2CCC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-14-16-11(3)9-13(17-14)18(5-2)10-12-7-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyGCBFCCZVDFLRLO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds6

About 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 107403115) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID107403115
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(CC)CC2CCC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-14-16-11(3)9-13(17-14)18(5-2)10-12-7-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyGCBFCCZVDFLRLO-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-(3-Amino-1-azetidinyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 59777245
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 107403115) is 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCNc1nc(C)cc(N(CC)CC2CCC2)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is GCBFCCZVDFLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-14-16-11(3)9-13(17-14)18(5-2)10-12-7-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107403115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).