N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C22H28N6 — CID 56740809

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCn1nc(C)c(CNc2nc(-c3ccccc3)nc3c2CCNC3)c1C
InChIInChI=1S/C22H28N6/c1-4-12-28-16(3)19(15(2)27-28)13-24-22-18-10-11-23-14-20(18)25-21(26-22)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,24,25,26)
InChIKeySFZCPQHLYZHFRX-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.62
Rot. Bonds6

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56740809) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56740809
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCCn1nc(C)c(CNc2nc(-c3ccccc3)nc3c2CCNC3)c1C
InChIInChI=1S/C22H28N6/c1-4-12-28-16(3)19(15(2)27-28)13-24-22-18-10-11-23-14-20(18)25-21(26-22)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,24,25,26)
InChIKeySFZCPQHLYZHFRX-UHFFFAOYSA-N
XLogP3.62
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56740809) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCCn1nc(C)c(CNc2nc(-c3ccccc3)nc3c2CCNC3)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SFZCPQHLYZHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-4-12-28-16(3)19(15(2)27-28)13-24-22-18-10-11-23-14-20(18)25-21(26-22)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 376.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56740809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).