4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine

C19H22N6 — CID 141174303

IUPAC4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2ccn[nH]2)nc(Nc2cccc(CN3CCCC3)c2)n1
InChIInChI=1S/C19H22N6/c1-14-11-18(17-7-8-20-24-17)23-19(21-14)22-16-6-4-5-15(12-16)13-25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyPNHOMHPDKGONFX-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.51
Rot. Bonds5

About 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine

4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 141174303) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID141174303
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2ccn[nH]2)nc(Nc2cccc(CN3CCCC3)c2)n1
InChIInChI=1S/C19H22N6/c1-14-11-18(17-7-8-20-24-17)23-19(21-14)22-16-6-4-5-15(12-16)13-25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyPNHOMHPDKGONFX-UHFFFAOYSA-N
XLogP3.51
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126
N-[4-[2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 46882470
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
4-(3-methoxyphenyl)sulfanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 18327482
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
N-[5-[2-[3-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]-2-pyridinyl]-N'-propan-2-ylethane-1,2-diamine
CID 134238434
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine (CID 141174303) is 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine is Cc1cc(-c2ccn[nH]2)nc(Nc2cccc(CN3CCCC3)c2)n1.
What is the InChIKey of 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is PNHOMHPDKGONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-11-18(17-7-8-20-24-17)23-19(21-14)22-16-6-4-5-15(12-16)13-25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 334.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 141174303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).