2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C16H27N5 — CID 80985452

IUPAC2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCCN(C)C2CC2)c1C
InChIInChI=1S/C16H27N5/c1-4-17-14-11(2)15(20-16(19-14)12-5-6-12)18-9-10-21(3)13-7-8-13/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBHQHLXMBWKJCKG-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.60
Rot. Bonds8

About 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985452) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985452
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCCN(C)C2CC2)c1C
InChIInChI=1S/C16H27N5/c1-4-17-14-11(2)15(20-16(19-14)12-5-6-12)18-9-10-21(3)13-7-8-13/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyBHQHLXMBWKJCKG-UHFFFAOYSA-N
XLogP2.60
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188
2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311788
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80985452) is 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(NCCN(C)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is BHQHLXMBWKJCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-17-14-11(2)15(20-16(19-14)12-5-6-12)18-9-10-21(3)13-7-8-13/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).