N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

C16H18ClN3O — CID 169425423

IUPACN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12;/h4,6-10H,5H2,1-3H3;1H
InChIKeyCTXRVBIAWJVRPE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.55
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 169425423) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID169425423
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12;/h4,6-10H,5H2,1-3H3;1H
InChIKeyCTXRVBIAWJVRPE-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 169425423) is N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is COc1ccc(N(C)c2nc(C)nc3c2CC=C3)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is CTXRVBIAWJVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12;/h4,6-10H,5H2,1-3H3;1H.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethyl-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 169425423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).