N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine

C20H18ClFN4O — CID 119052775

IUPACN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine
SMILESFc1cncc(-c2cnc(NCc3cc(Cl)ccc3OCC3CC3)nc2)c1
InChIInChI=1S/C20H18ClFN4O/c21-17-3-4-19(27-12-13-1-2-13)15(5-17)8-24-20-25-9-16(10-26-20)14-6-18(22)11-23-7-14/h3-7,9-11,13H,1-2,8,12H2,(H,24,25,26)
InChIKeyVCVMZRKDWFKCMQ-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.73
Rot. Bonds7

About N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine

N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine (PubChem CID 119052775) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine
PubChem CID119052775
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC NameN-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine
SMILESFc1cncc(-c2cnc(NCc3cc(Cl)ccc3OCC3CC3)nc2)c1
InChIInChI=1S/C20H18ClFN4O/c21-17-3-4-19(27-12-13-1-2-13)15(5-17)8-24-20-25-9-16(10-26-20)14-6-18(22)11-23-7-14/h3-7,9-11,13H,1-2,8,12H2,(H,24,25,26)
InChIKeyVCVMZRKDWFKCMQ-UHFFFAOYSA-N
XLogP4.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
CID 146185123
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3235150
N-[(2-methoxyphenyl)methyl]-5-pyridin-3-ylpyrimidin-4-amine
CID 3235154
2-(1-(6-(4-Chloro-2-methylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026692
6-[2-Chloro-6-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 155517983
Ship2-IN-1
CID 138319691
4-Amino-6-({1-[5-chloro-3-(5-cyanopyridin-3-yl)-4-fluoro-2-methoxyphenyl]ethyl}amino)pyrimidine-5-carbonitrile
CID 86711470
4-Amino-6-[1-[3-(2-aminopyrimidin-5-yl)-5-chloro-4-fluoro-2-methoxyphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961869
4-Amino-6-[1-[5-chloro-4-fluoro-3-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961947
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-methylpyrimidin-2-amine
CID 145978947
5-[5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-methylpyrimidin-2-amine
CID 145979445
5-[5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrimidin-2-amine
CID 145989576

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine (CID 119052775) is N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine is Fc1cncc(-c2cnc(NCc3cc(Cl)ccc3OCC3CC3)nc2)c1.
What is the InChIKey of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is VCVMZRKDWFKCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-17-3-4-19(27-12-13-1-2-13)15(5-17)8-24-20-25-9-16(10-26-20)14-6-18(22)11-23-7-14/h3-7,9-11,13H,1-2,8,12H2,(H,24,25,26).
What are the key properties of N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine?
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 384.84 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 119052775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).