3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol

C19H20ClN5O — CID 19689540

IUPAC3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCc1ccc(Cl)cc1Nc1nccc(-c2ccnc(NCCCO)c2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-3-4-15(20)12-17(13)25-19-23-9-6-16(24-19)14-5-8-22-18(11-14)21-7-2-10-26/h3-6,8-9,11-12,26H,2,7,10H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyLTLSHWQFIXMNKZ-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.04
Rot. Bonds7

About 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol

3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 19689540) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID19689540
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCc1ccc(Cl)cc1Nc1nccc(-c2ccnc(NCCCO)c2)n1
InChIInChI=1S/C19H20ClN5O/c1-13-3-4-15(20)12-17(13)25-19-23-9-6-16(24-19)14-5-8-22-18(11-14)21-7-2-10-26/h3-6,8-9,11-12,26H,2,7,10H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyLTLSHWQFIXMNKZ-UHFFFAOYSA-N
XLogP4.04
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[2-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689535
2-N-(5-chloro-2-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900369
3-[[4-[2-[(5-chlorocyclohexa-1,3-dien-1-yl)amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 163584512
2-N-(5-chloro-2-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893742
2-N-(5-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899106
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
2-[2-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]amino]ethyl]guanidine
CID 140967082
2-N-(5-chloro-2-methylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882056
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol (CID 19689540) is 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol is Cc1ccc(Cl)cc1Nc1nccc(-c2ccnc(NCCCO)c2)n1.
What is the InChIKey of 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is LTLSHWQFIXMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-3-4-15(20)12-17(13)25-19-23-9-6-16(24-19)14-5-8-22-18(11-14)21-7-2-10-26/h3-6,8-9,11-12,26H,2,7,10H2,1H3,(H,21,22)(H,23,24,25).
What are the key properties of 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 369.86 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 19689540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).