N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H20N6O — CID 166221777

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2nc(-c3cccnc3)nc3c2CCC3)cn1
InChIInChI=1S/C18H20N6O/c1-25-9-8-24-12-14(11-20-24)21-18-15-5-2-6-16(15)22-17(23-18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,21,22,23)
InChIKeyASCARBOKYYLCOP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.61
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 166221777) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID166221777
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCn1cc(Nc2nc(-c3cccnc3)nc3c2CCC3)cn1
InChIInChI=1S/C18H20N6O/c1-25-9-8-24-12-14(11-20-24)21-18-15-5-2-6-16(15)22-17(23-18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,21,22,23)
InChIKeyASCARBOKYYLCOP-UHFFFAOYSA-N
XLogP2.61
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol
CID 133272549
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166278848
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225639
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
CID 166225615
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 166223233
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
4-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenol
CID 166225658
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
2-methyl-1-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pentan-2-ol
CID 139009202
N-(1-methylsulfonylpropan-2-yl)-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 139009186
N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166219815

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 166221777) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COCCn1cc(Nc2nc(-c3cccnc3)nc3c2CCC3)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ASCARBOKYYLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-25-9-8-24-12-14(11-20-24)21-18-15-5-2-6-16(15)22-17(23-18)13-4-3-7-19-10-13/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,21,22,23).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).