N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine

C19H22N6O — CID 157106440

IUPACN-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine
SMILESCOc1cnc(N2C3CCC2CNC3)nc1Nc1ccc2c(c1)C=NC2
InChIInChI=1S/C19H22N6O/c1-26-17-11-22-19(25-15-4-5-16(25)10-21-9-15)24-18(17)23-14-3-2-12-7-20-8-13(12)6-14/h2-3,6,8,11,15-16,21H,4-5,7,9-10H2,1H3,(H,22,23,24)
InChIKeyAGIVTYGNIDJVOZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine

N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine (PubChem CID 157106440) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine
PubChem CID157106440
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine
SMILESCOc1cnc(N2C3CCC2CNC3)nc1Nc1ccc2c(c1)C=NC2
InChIInChI=1S/C19H22N6O/c1-26-17-11-22-19(25-15-4-5-16(25)10-21-9-15)24-18(17)23-14-3-2-12-7-20-8-13(12)6-14/h2-3,6,8,11,15-16,21H,4-5,7,9-10H2,1H3,(H,22,23,24)
InChIKeyAGIVTYGNIDJVOZ-UHFFFAOYSA-N
XLogP2.10
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 159168511
N-[2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-isoindol-5-amine
CID 161404356
2-(1,4-diazepan-1-yl)-N-(1H-isoindol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 161348421
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161474659
9-cyclopentyl-2-(1H-isoindol-5-ylamino)-5-methylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one
CID 58153992
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 152848131
N-[3-[6-(cyclopropylmethoxy)-4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenyl]butanamide
CID 157346786
N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147378133
ethyl (7S)-4-(1H-isoindol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
CID 157118670
[4-(1H-isoindol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 149053115

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine?
The IUPAC name of N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine (CID 157106440) is N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine.
What is the SMILES notation for N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine?
The canonical SMILES for N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine is COc1cnc(N2C3CCC2CNC3)nc1Nc1ccc2c(c1)C=NC2.
What is the InChIKey of N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine?
The InChIKey is AGIVTYGNIDJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-26-17-11-22-19(25-15-4-5-16(25)10-21-9-15)24-18(17)23-14-3-2-12-7-20-8-13(12)6-14/h2-3,6,8,11,15-16,21H,4-5,7,9-10H2,1H3,(H,22,23,24).
What are the key properties of N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine?
N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine has a molecular weight of 350.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-methoxypyrimidin-4-yl]-1H-isoindol-5-amine is sourced from PubChem (CID 157106440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).