methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate

C17H19N3O2 — CID 143562143

IUPACmethyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H19N3O2/c1-22-15(21)13-11-19-16(18)20-14(13)17(9-5-6-10-17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyZMKSKIUPOXKKHZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.71
Rot. Bonds3

About methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate

methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate (PubChem CID 143562143) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
PubChem CID143562143
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H19N3O2/c1-22-15(21)13-11-19-16(18)20-14(13)17(9-5-6-10-17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyZMKSKIUPOXKKHZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
Ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
Ethyl 2,4-diphenyl-5-pyrimidinecarboxylate
CID 1487223
2-Amino-4-phenylpyrimidine-5-carboxylic acid
CID 254927
2,4-Diphenyl-5-pyrimidinecarboxylic acid
CID 1487224
Methyl 3'-methyl-5'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}biphenyl-3-carboxylate
CID 90041495
Ethyl 4-benzyl-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate
CID 44320289
Ethyl 2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-phenylpyrimidine-5-carboxylate
CID 44320310
Methyl 4-benzyl-6-methyl-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137632273
Ethyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 254928
2-Methyl-4-phenylpyrimidine-5-carboxylic acid
CID 2776510
2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid
CID 10490410

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate (CID 143562143) is methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(N)nc1C1(c2ccccc2)CCCC1.
What is the InChIKey of methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate?
The InChIKey is ZMKSKIUPOXKKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15(21)13-11-19-16(18)20-14(13)17(9-5-6-10-17)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,18,19,20).
What are the key properties of methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate?
methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 143562143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).