N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine

C20H24N6 — CID 173147553

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine
SMILESCN1CCN(c2ccc(NC3=NCC(c4ccccc4)=CN3)cn2)CC1
InChIInChI=1S/C20H24N6/c1-25-9-11-26(12-10-25)19-8-7-18(15-21-19)24-20-22-13-17(14-23-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,22,23,24)
InChIKeyDYIJVAKZWDDHGC-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.25
Rot. Bonds3

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine (PubChem CID 173147553) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine
PubChem CID173147553
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine
SMILESCN1CCN(c2ccc(NC3=NCC(c4ccccc4)=CN3)cn2)CC1
InChIInChI=1S/C20H24N6/c1-25-9-11-26(12-10-25)19-8-7-18(15-21-19)24-20-22-13-17(14-23-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,22,23,24)
InChIKeyDYIJVAKZWDDHGC-UHFFFAOYSA-N
XLogP2.25
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
CID 173147727
1-methyl-4-[5-(1H-pyrrol-2-yl)-2-pyridinyl]piperazine
CID 141163606
1-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thiourea
CID 94591482
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
(E)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 17415370
N-methyl-2-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzamide
CID 25122370
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 25396956
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
1-[5-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-2-pyridinyl]-4-methylpiperazine
CID 18671631
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine (CID 173147553) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine is CN1CCN(c2ccc(NC3=NCC(c4ccccc4)=CN3)cn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine?
The InChIKey is DYIJVAKZWDDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-25-9-11-26(12-10-25)19-8-7-18(15-21-19)24-20-22-13-17(14-23-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,22,23,24).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 173147553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).