methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate

C15H15ClN4O2 — CID 67094450

IUPACmethyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(N(C)c2ccncc2)c1Cl
InChIInChI=1S/C15H15ClN4O2/c1-20(10-5-7-17-8-6-10)14-11(16)12(15(21)22-2)18-13(19-14)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyFJTNTIHOJRINOF-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.96
Rot. Bonds4

About methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate

methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate (PubChem CID 67094450) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate
PubChem CID67094450
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Namemethyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(N(C)c2ccncc2)c1Cl
InChIInChI=1S/C15H15ClN4O2/c1-20(10-5-7-17-8-6-10)14-11(16)12(15(21)22-2)18-13(19-14)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyFJTNTIHOJRINOF-UHFFFAOYSA-N
XLogP2.96
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-2-cyclopropyl-6-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]pyrimidine-4-carboxylate
CID 58220591
methyl 5-chloro-2-cyclopropyl-6-[methyl-[(2-nitrophenyl)methyl]amino]pyrimidine-4-carboxylate
CID 58220576
methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate
CID 58220819
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746
methyl 5-chloro-2-cyclopropyl-6-[[(3S,4S)-4-hydroxyoxolan-3-yl]amino]pyrimidine-4-carboxylate
CID 58220840
methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate
CID 67094637
methyl 6-[1-(4-bromophenyl)ethylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220831
methyl 5-chloro-2-cyclopropyl-6-[(2-methyl-1-phenylpropyl)amino]pyrimidine-4-carboxylate
CID 140564379
methyl 6-[(5-bromofuran-2-yl)methylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220920
methyl 5-chloro-2-cyclopropyl-6-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidine-4-carboxylate
CID 58220775
methyl 6-[[2-(4-bromophenyl)-2-fluoroethyl]amino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220726
methyl 5-chloro-2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxylate
CID 58220874

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate (CID 67094450) is methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)nc(N(C)c2ccncc2)c1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate?
The InChIKey is FJTNTIHOJRINOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-20(10-5-7-17-8-6-10)14-11(16)12(15(21)22-2)18-13(19-14)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 67094450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).