5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine

C17H16ClN7 — CID 140626230

IUPAC5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1
InChIInChI=1S/C17H16ClN7/c18-15-8-11(3-5-20-15)23-17-21-6-4-13(25-17)12-9-22-16(19)24-14(12)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H2,19,22,24)(H,20,21,23,25)
InChIKeyQELFYJUUCOBXNE-UHFFFAOYSA-N
MW353.82 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine

5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine (PubChem CID 140626230) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine
PubChem CID140626230
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1
InChIInChI=1S/C17H16ClN7/c18-15-8-11(3-5-20-15)23-17-21-6-4-13(25-17)12-9-22-16(19)24-14(12)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H2,19,22,24)(H,20,21,23,25)
InChIKeyQELFYJUUCOBXNE-UHFFFAOYSA-N
XLogP3.26
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
CID 67983858
N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
CID 140626228
5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
CID 57404842
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]oxybenzonitrile
CID 89052706
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
CID 24986837
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine (CID 140626230) is 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine is Nc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1.
What is the InChIKey of 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine?
The InChIKey is QELFYJUUCOBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7/c18-15-8-11(3-5-20-15)23-17-21-6-4-13(25-17)12-9-22-16(19)24-14(12)7-10-1-2-10/h3-6,8-10H,1-2,7H2,(H2,19,22,24)(H,20,21,23,25).
What are the key properties of 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine?
5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine has a molecular weight of 353.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 140626230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).