2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine

C17H28N4 — CID 80987802

IUPAC2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C17H28N4/c1-4-10-21(11-13-6-7-13)17-12(3)15(18-5-2)19-16(20-17)14-8-9-14/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyFCCVODAZUBGLJJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.72
Rot. Bonds8

About 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80987802) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80987802
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C17H28N4/c1-4-10-21(11-13-6-7-13)17-12(3)15(18-5-2)19-16(20-17)14-8-9-14/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyFCCVODAZUBGLJJ-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984884
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80984916
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine (CID 80987802) is 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine is CCCN(CC1CC1)c1nc(C2CC2)nc(NCC)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is FCCVODAZUBGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-10-21(11-13-6-7-13)17-12(3)15(18-5-2)19-16(20-17)14-8-9-14/h13-14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).