N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

C18H27N5O — CID 72895054

IUPACN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCCN1CCC(CNc2ncnc3nc(C)cc(C)c23)C1
InChIInChI=1S/C18H27N5O/c1-13-9-14(2)22-18-16(13)17(20-12-21-18)19-10-15-5-7-23(11-15)6-4-8-24-3/h9,12,15H,4-8,10-11H2,1-3H3,(H,19,20,21,22)
InChIKeyJCFJMQKDFPUENB-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.41
Rot. Bonds7

About N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72895054) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72895054
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCCN1CCC(CNc2ncnc3nc(C)cc(C)c23)C1
InChIInChI=1S/C18H27N5O/c1-13-9-14(2)22-18-16(13)17(20-12-21-18)19-10-15-5-7-23(11-15)6-4-8-24-3/h9,12,15H,4-8,10-11H2,1-3H3,(H,19,20,21,22)
InChIKeyJCFJMQKDFPUENB-UHFFFAOYSA-N
XLogP2.41
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72885362
5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72840824
N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 30921199
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72844659
1-(2,3-dimethylquinoxalin-6-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 124750057
1-(2,6-dimethyl-3-pyridinyl)-3-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97456473
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154899663
2-tert-butyl-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97118463

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (CID 72895054) is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is COCCCN1CCC(CNc2ncnc3nc(C)cc(C)c23)C1.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JCFJMQKDFPUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-9-14(2)22-18-16(13)17(20-12-21-18)19-10-15-5-7-23(11-15)6-4-8-24-3/h9,12,15H,4-8,10-11H2,1-3H3,(H,19,20,21,22).
What are the key properties of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).