4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide

C16H18N4O — CID 126771991

IUPAC4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1C1(CNC(=O)c2cncnc2N)CC1
InChIInChI=1S/C16H18N4O/c1-11-4-2-3-5-13(11)16(6-7-16)9-19-15(21)12-8-18-10-20-14(12)17/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyFOIBDGRYGKFROT-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide

4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide (PubChem CID 126771991) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
PubChem CID126771991
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1C1(CNC(=O)c2cncnc2N)CC1
InChIInChI=1S/C16H18N4O/c1-11-4-2-3-5-13(11)16(6-7-16)9-19-15(21)12-8-18-10-20-14(12)17/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyFOIBDGRYGKFROT-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95308719
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-iodo-4-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528468

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide (CID 126771991) is 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide is Cc1ccccc1C1(CNC(=O)c2cncnc2N)CC1.
What is the InChIKey of 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is FOIBDGRYGKFROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-2-3-5-13(11)16(6-7-16)9-19-15(21)12-8-18-10-20-14(12)17/h2-5,8,10H,6-7,9H2,1H3,(H,19,21)(H2,17,18,20).
What are the key properties of 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide?
4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126771991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).