4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine

C21H20N8 — CID 170641489

IUPAC4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCN(c5ccncn5)CC4)c3c2)ccn1
InChIInChI=1S/C21H20N8/c22-19-12-16(3-6-24-19)15-1-2-18-17(11-15)21(27-14-25-18)29-9-7-28(8-10-29)20-4-5-23-13-26-20/h1-6,11-14H,7-10H2,(H2,22,24)
InChIKeyVJJRQQBLDRXUOG-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.39
Rot. Bonds3

About 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine

4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine (PubChem CID 170641489) has the molecular formula C21H20N8 and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
PubChem CID170641489
Molecular FormulaC21H20N8
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCN(c5ccncn5)CC4)c3c2)ccn1
InChIInChI=1S/C21H20N8/c22-19-12-16(3-6-24-19)15-1-2-18-17(11-15)21(27-14-25-18)29-9-7-28(8-10-29)20-4-5-23-13-26-20/h1-6,11-14H,7-10H2,(H2,22,24)
InChIKeyVJJRQQBLDRXUOG-UHFFFAOYSA-N
XLogP2.39
TPSA96.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine
CID 170641482
7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline
CID 154830107
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 170641373
4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
CID 170641339
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
4-[4-(3-fluoro-5-morpholin-4-ylphenyl)quinazolin-6-yl]pyridin-2-amine
CID 170641216
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine (CID 170641489) is 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine is Nc1cc(-c2ccc3ncnc(N4CCN(c5ccncn5)CC4)c3c2)ccn1.
What is the InChIKey of 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine?
The InChIKey is VJJRQQBLDRXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8/c22-19-12-16(3-6-24-19)15-1-2-18-17(11-15)21(27-14-25-18)29-9-7-28(8-10-29)20-4-5-23-13-26-20/h1-6,11-14H,7-10H2,(H2,22,24).
What are the key properties of 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine?
4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine has a molecular weight of 384.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine is sourced from PubChem (CID 170641489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).