N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C20H28N6 — CID 56708235

IUPACN,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nc(N(C)C)nc3c1CCCC3)C2
InChIInChI=1S/C20H28N6/c1-13(2)9-18-21-10-14-11-26(12-17(14)22-18)19-15-7-5-6-8-16(15)23-20(24-19)25(3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyOXUCLHASACRRNS-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.93
Rot. Bonds4

About N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 56708235) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID56708235
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nc(N(C)C)nc3c1CCCC3)C2
InChIInChI=1S/C20H28N6/c1-13(2)9-18-21-10-14-11-26(12-17(14)22-18)19-15-7-5-6-8-16(15)23-20(24-19)25(3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyOXUCLHASACRRNS-UHFFFAOYSA-N
XLogP2.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 56708235) is N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is CC(C)Cc1ncc2c(n1)CN(c1nc(N(C)C)nc3c1CCCC3)C2.
What is the InChIKey of N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is OXUCLHASACRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-13(2)9-18-21-10-14-11-26(12-17(14)22-18)19-15-7-5-6-8-16(15)23-20(24-19)25(3)4/h10,13H,5-9,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 56708235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).