N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine

C16H25N5 — CID 50950043

IUPACN,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CCCc2nccn2C)n1
InChIInChI=1S/C16H25N5/c1-12(2)14-11-16(19-13(3)18-14)20(4)9-6-7-15-17-8-10-21(15)5/h8,10-12H,6-7,9H2,1-5H3
InChIKeyHMOKWNBFRQMYDV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.71
Rot. Bonds6

About N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine

N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 50950043) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID50950043
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)CCCc2nccn2C)n1
InChIInChI=1S/C16H25N5/c1-12(2)14-11-16(19-13(3)18-14)20(4)9-6-7-15-17-8-10-21(15)5/h8,10-12H,6-7,9H2,1-5H3
InChIKeyHMOKWNBFRQMYDV-UHFFFAOYSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-(2-methyl-6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83834295
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
CID 72881255
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 46997101
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50983573
5-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-2-amine
CID 72851312
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74235815
2-(5-chloro-4-methylpentyl)-1-methylimidazole
CID 114532201
N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 91834068
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine (CID 50950043) is N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine is Cc1nc(C(C)C)cc(N(C)CCCc2nccn2C)n1.
What is the InChIKey of N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HMOKWNBFRQMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)14-11-16(19-13(3)18-14)20(4)9-6-7-15-17-8-10-21(15)5/h8,10-12H,6-7,9H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50950043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).