4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine

C16H28N4O — CID 107403005

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)nc(COC)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-14-10-16(19-15(18-14)12-21-3)20(5-2)11-13-7-6-8-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyKCBGJBNBHMMGDA-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.07
Rot. Bonds9

About 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107403005) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID107403005
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CC2CCC2)nc(COC)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-14-10-16(19-15(18-14)12-21-3)20(5-2)11-13-7-6-8-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyKCBGJBNBHMMGDA-UHFFFAOYSA-N
XLogP3.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939490
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80942751
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine (CID 107403005) is 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)CC2CCC2)nc(COC)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is KCBGJBNBHMMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-17-14-10-16(19-15(18-14)12-21-3)20(5-2)11-13-7-6-8-13/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107403005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).