N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C19H27N5 — CID 77092489

IUPACN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCn1ccnc1CN(Cc1cnc(C2CCCCC2)nc1)C1CC1
InChIInChI=1S/C19H27N5/c1-23-10-9-20-18(23)14-24(17-7-8-17)13-15-11-21-19(22-12-15)16-5-3-2-4-6-16/h9-12,16-17H,2-8,13-14H2,1H3
InChIKeyPWTNGXQSORXVSB-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.42
Rot. Bonds6

About N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 77092489) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID77092489
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCn1ccnc1CN(Cc1cnc(C2CCCCC2)nc1)C1CC1
InChIInChI=1S/C19H27N5/c1-23-10-9-20-18(23)14-24(17-7-8-17)13-15-11-21-19(22-12-15)16-5-3-2-4-6-16/h9-12,16-17H,2-8,13-14H2,1H3
InChIKeyPWTNGXQSORXVSB-UHFFFAOYSA-N
XLogP3.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
CID 122158285
N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
CID 124757448
N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77091426
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 56705149
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
CID 91834125
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 77092489) is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is Cn1ccnc1CN(Cc1cnc(C2CCCCC2)nc1)C1CC1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is PWTNGXQSORXVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-23-10-9-20-18(23)14-24(17-7-8-17)13-15-11-21-19(22-12-15)16-5-3-2-4-6-16/h9-12,16-17H,2-8,13-14H2,1H3.
What are the key properties of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 325.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 77092489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).