5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride

C16H21ClN6O — CID 163998742

IUPAC5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
SMILESCCCc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O
InChIInChI=1S/C16H18N6.ClH.H2O/c1-2-6-10-11(9-7-4-3-5-8-9)12-14(18)21-16(19)22-15(12)20-13(10)17;;/h3-5,7-8H,2,6H2,1H3,(H6,17,18,19,20,21,22);1H;1H2
InChIKeyUHAPUGJJEIMEOO-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.99
Rot. Bonds3

About 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride

5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride (PubChem CID 163998742) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride.

Molecular Properties

Compound Name5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
PubChem CID163998742
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
SMILESCCCc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O
InChIInChI=1S/C16H18N6.ClH.H2O/c1-2-6-10-11(9-7-4-3-5-8-9)12-14(18)21-16(19)22-15(12)20-13(10)17;;/h3-5,7-8H,2,6H2,1H3,(H6,17,18,19,20,21,22);1H;1H2
InChIKeyUHAPUGJJEIMEOO-UHFFFAOYSA-N
XLogP1.99
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 161410254
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 154123994
2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 17198451
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
(2,4-diamino-5-propylpyrido[2,3-d]pyrimidin-6-yl)methanol
CID 19436890
6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 44531577
6-chloro-3-heptyl-4-phenylquinolin-2-amine
CID 174265531
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine
CID 170890877
5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
CID 91620948
2-phenyl-3-propylbenzene-1,4-diol
CID 118690325

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The IUPAC name of 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride (CID 163998742) is 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride.
What is the SMILES notation for 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The canonical SMILES for 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride is CCCc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O.
What is the InChIKey of 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The InChIKey is UHAPUGJJEIMEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6.ClH.H2O/c1-2-6-10-11(9-7-4-3-5-8-9)12-14(18)21-16(19)22-15(12)20-13(10)17;;/h3-5,7-8H,2,6H2,1H3,(H6,17,18,19,20,21,22);1H;1H2.
What are the key properties of 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride has a molecular weight of 348.84 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride is sourced from PubChem (CID 163998742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).