N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C16H20N4 — CID 114742834

IUPACN-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCC(C)c1nc(Nc2ccccc2)nc2c1CCNC2
InChIInChI=1S/C16H20N4/c1-11(2)15-13-8-9-17-10-14(13)19-16(20-15)18-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCHAWODUOZHSEKD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.99
Rot. Bonds3

About N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 114742834) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID114742834
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCC(C)c1nc(Nc2ccccc2)nc2c1CCNC2
InChIInChI=1S/C16H20N4/c1-11(2)15-13-8-9-17-10-14(13)19-16(20-15)18-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCHAWODUOZHSEKD-UHFFFAOYSA-N
XLogP2.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
2-[(2-bromophenyl)methyl]-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742877
2-(3,4-dichlorophenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742925
N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 59333727
2-(1-methoxyethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742924
2-butan-2-yl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742839
2,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 176926544
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 114742834) is N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CC(C)c1nc(Nc2ccccc2)nc2c1CCNC2.
What is the InChIKey of N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is CHAWODUOZHSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11(2)15-13-8-9-17-10-14(13)19-16(20-15)18-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 114742834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).