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

C18H24N6 — CID 170324513

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cc2)CC1
InChIInChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)16-4-2-15(3-5-16)21-18-20-12-14-6-7-19-13-17(14)22-18/h2-5,12,19H,6-11,13H2,1H3,(H,20,21,22)
InChIKeyZYAWIUWTDOKCFQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.62
Rot. Bonds3

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

N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324513) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324513
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cc2)CC1
InChIInChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)16-4-2-15(3-5-16)21-18-20-12-14-6-7-19-13-17(14)22-18/h2-5,12,19H,6-11,13H2,1H3,(H,20,21,22)
InChIKeyZYAWIUWTDOKCFQ-UHFFFAOYSA-N
XLogP1.62
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165813
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324420
N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324799
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324062
1-[2-methyl-4-[3-[7-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]azetidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177363776
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-piperidin-1-yl-5,6-dihydropyrimido[5,4-g]indolizin-2-amine
CID 142742906
4-N,5-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;tris(phosphanyl)phosphane
CID 157145988
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165845
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimido[5,4-c][2,1]benzothiazin-2-amine
CID 90146060

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324513) is N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CN1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ZYAWIUWTDOKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-23-8-10-24(11-9-23)16-4-2-15(3-5-16)21-18-20-12-14-6-7-19-13-17(14)22-18/h2-5,12,19H,6-11,13H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).