2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80982959

IUPAC2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCN(c1nc(C2CC2)nc(N)c1C)C(C)C
InChIInChI=1S/C16H28N4/c1-5-6-7-10-20(11(2)3)16-12(4)14(17)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyDSFMWVXZZWAMRH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.65
Rot. Bonds7

About 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80982959) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80982959
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCN(c1nc(C2CC2)nc(N)c1C)C(C)C
InChIInChI=1S/C16H28N4/c1-5-6-7-10-20(11(2)3)16-12(4)14(17)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyDSFMWVXZZWAMRH-UHFFFAOYSA-N
XLogP3.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993505
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
2-cyclopropyl-6-ethylsulfanyl-5-methylpyrimidin-4-amine
CID 80991192
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
6-ethyl-5-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65402392

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80982959) is 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCCCCN(c1nc(C2CC2)nc(N)c1C)C(C)C.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DSFMWVXZZWAMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-6-7-10-20(11(2)3)16-12(4)14(17)18-15(19-16)13-8-9-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).