N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C19H23FN4 — CID 56907653

IUPACN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)n1)CNC2
InChIInChI=1S/C19H23FN4/c1-12-22-18-11-21-10-16(18)19(23-12)24-17-4-2-3-14(17)9-13-5-7-15(20)8-6-13/h5-8,14,17,21H,2-4,9-11H2,1H3,(H,22,23,24)/t14-,17-/m0/s1
InChIKeyNVKLNBWVJNZXRJ-YOEHRIQHSA-N
MW326.42 g/mol
LogP3.35
Rot. Bonds4

About N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56907653) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56907653
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)n1)CNC2
InChIInChI=1S/C19H23FN4/c1-12-22-18-11-21-10-16(18)19(23-12)24-17-4-2-3-14(17)9-13-5-7-15(20)8-6-13/h5-8,14,17,21H,2-4,9-11H2,1H3,(H,22,23,24)/t14-,17-/m0/s1
InChIKeyNVKLNBWVJNZXRJ-YOEHRIQHSA-N
XLogP3.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
9-phenyl-4-(piperazin-1-yl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine
CID 25129169
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
2-cyclopentyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062782
2-benzyl-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062788

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56907653) is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)n1)CNC2.
What is the InChIKey of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NVKLNBWVJNZXRJ-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H23FN4/c1-12-22-18-11-21-10-16(18)19(23-12)24-17-4-2-3-14(17)9-13-5-7-15(20)8-6-13/h5-8,14,17,21H,2-4,9-11H2,1H3,(H,22,23,24)/t14-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56907653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).