N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H26N4 — CID 92565018

IUPACN,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESC#CCN(Cc1ccccc1)c1nc(C)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H26N4/c1-3-15-29(18-22-12-8-5-9-13-22)25-23-14-16-28(17-21-10-6-4-7-11-21)19-24(23)26-20(2)27-25/h1,4-13H,14-19H2,2H3
InChIKeyPHAWKSPEHLRBBC-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.98
Rot. Bonds6

About N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 92565018) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID92565018
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC NameN,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESC#CCN(Cc1ccccc1)c1nc(C)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H26N4/c1-3-15-29(18-22-12-8-5-9-13-22)25-23-14-16-28(17-21-10-6-4-7-11-21)19-24(23)26-20(2)27-25/h1,4-13H,14-19H2,2H3
InChIKeyPHAWKSPEHLRBBC-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798355
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110214334
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798351
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
CID 137299237
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
CID 10569367
4-[7-benzyl-2-(diethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]benzonitrile
CID 46206529
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110219427
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
6-benzyl-4-N,4-N-diethyl-2-N,2-N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 91800555
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773

Frequently Asked Questions

What is the IUPAC name of N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 92565018) is N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is C#CCN(Cc1ccccc1)c1nc(C)nc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PHAWKSPEHLRBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-3-15-29(18-22-12-8-5-9-13-22)25-23-14-16-28(17-21-10-6-4-7-11-21)19-24(23)26-20(2)27-25/h1,4-13H,14-19H2,2H3.
What are the key properties of N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92565018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).