4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine

C14H24N4 — CID 107403068

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-8-15-13-9-14(17-11-16-13)18(4-2)10-12-6-5-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyLPJSZTLCPWNTFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds7

About 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107403068) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID107403068
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-8-15-13-9-14(17-11-16-13)18(4-2)10-12-6-5-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyLPJSZTLCPWNTFE-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80835345
4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 107403005
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 107403068) is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)CC2CCC2)ncn1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LPJSZTLCPWNTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-8-15-13-9-14(17-11-16-13)18(4-2)10-12-6-5-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107403068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).