N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine

C21H31N7 — CID 46961574

IUPACN,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnc(N(C)C)nc1)C2
InChIInChI=1S/C21H31N7/c1-15(2)19-24-18-14-27(13-16-11-22-21(23-12-16)26(3)4)10-7-17(18)20(25-19)28-8-5-6-9-28/h11-12,15H,5-10,13-14H2,1-4H3
InChIKeyMPXKAOLDBSOFES-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.61
Rot. Bonds5

About N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine

N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine (PubChem CID 46961574) has the molecular formula C21H31N7 and a molecular weight of 381.53 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine
PubChem CID46961574
Molecular FormulaC21H31N7
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC NameN,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine
SMILESCC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnc(N(C)C)nc1)C2
InChIInChI=1S/C21H31N7/c1-15(2)19-24-18-14-27(13-16-11-22-21(23-12-16)26(3)4)10-7-17(18)20(25-19)28-8-5-6-9-28/h11-12,15H,5-10,13-14H2,1-4H3
InChIKeyMPXKAOLDBSOFES-UHFFFAOYSA-N
XLogP2.61
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine (CID 46961574) is N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine is CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1cnc(N(C)C)nc1)C2.
What is the InChIKey of N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine?
The InChIKey is MPXKAOLDBSOFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7/c1-15(2)19-24-18-14-27(13-16-11-22-21(23-12-16)26(3)4)10-7-17(18)20(25-19)28-8-5-6-9-28/h11-12,15H,5-10,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine has a molecular weight of 381.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).