(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

C21H22N6O — CID 122348910

IUPAC(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)c1
InChIInChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)21(28)27-11-9-26(10-12-27)20-14-19(23-15-24-20)25-18-7-2-3-8-22-18/h2-8,13-15H,9-12H2,1H3,(H,22,23,24,25)
InChIKeyBJWYZCSBCLTVPN-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.89
Rot. Bonds4

About (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122348910) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122348910
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)c1
InChIInChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)21(28)27-11-9-26(10-12-27)20-14-19(23-15-24-20)25-18-7-2-3-8-22-18/h2-8,13-15H,9-12H2,1H3,(H,22,23,24,25)
InChIKeyBJWYZCSBCLTVPN-UHFFFAOYSA-N
XLogP2.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349108
(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349291
[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122349598
(5-bromo-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349064
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349143
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122348910) is (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is BJWYZCSBCLTVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)21(28)27-11-9-26(10-12-27)20-14-19(23-15-24-20)25-18-7-2-3-8-22-18/h2-8,13-15H,9-12H2,1H3,(H,22,23,24,25).
What are the key properties of (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 374.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122348910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).