N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine

C21H21N7 — CID 130204452

IUPACN-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccc(NCCc3ccccc3)nc2)n1
InChIInChI=1S/C21H21N7/c1-28-20(11-14-25-28)27-21-23-13-10-18(26-21)17-7-8-19(24-15-17)22-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-15H,9,12H2,1H3,(H,22,24)(H,23,26,27)
InChIKeySGDFEKGOHQYVEI-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.67
Rot. Bonds7

About N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine

N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 130204452) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
PubChem CID130204452
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccc(NCCc3ccccc3)nc2)n1
InChIInChI=1S/C21H21N7/c1-28-20(11-14-25-28)27-21-23-13-10-18(26-21)17-7-8-19(24-15-17)22-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-15H,9,12H2,1H3,(H,22,24)(H,23,26,27)
InChIKeySGDFEKGOHQYVEI-UHFFFAOYSA-N
XLogP3.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 130204467
ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
CID 145343942
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
4-[1-[2-(2-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
CID 118216538
4-[3-(benzenesulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217082
6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794
4-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145343991
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
N-[5-[2-[3-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]-2-pyridinyl]-N'-propan-2-ylethane-1,2-diamine
CID 134238434

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine (CID 130204452) is N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2ccc(NCCc3ccccc3)nc2)n1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is SGDFEKGOHQYVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-28-20(11-14-25-28)27-21-23-13-10-18(26-21)17-7-8-19(24-15-17)22-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-15H,9,12H2,1H3,(H,22,24)(H,23,26,27).
What are the key properties of N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine?
N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 371.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 130204452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).