N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine

C17H16ClN5 — CID 162383928

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1ccn(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1
InChIInChI=1S/C17H16ClN5/c1-11-4-5-23(22-11)16-9-19-17(20-10-16)21-15-7-12-2-3-14(18)6-13(12)8-15/h2-6,9-10,15H,7-8H2,1H3,(H,19,20,21)
InChIKeyITWCFCQUZZQDDC-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.20
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 162383928) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID162383928
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine
SMILESCc1ccn(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1
InChIInChI=1S/C17H16ClN5/c1-11-4-5-23(22-11)16-9-19-17(20-10-16)21-15-7-12-2-3-14(18)6-13(12)8-15/h2-6,9-10,15H,7-8H2,1H3,(H,19,20,21)
InChIKeyITWCFCQUZZQDDC-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine
CID 175870887
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
CID 162383891
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 162383920
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 151676824
[2-[[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
CID 150385494
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 103905336
1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115348778

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine (CID 162383928) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine is Cc1ccn(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is ITWCFCQUZZQDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-11-4-5-23(22-11)16-9-19-17(20-10-16)21-15-7-12-2-3-14(18)6-13(12)8-15/h2-6,9-10,15H,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 325.80 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 162383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).