2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

C18H19N5 — CID 133411504

IUPAC2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(CNc3ccnc(C4CC4)n3)c2)cn1
InChIInChI=1S/C18H19N5/c1-23-12-16(11-21-23)15-4-2-3-13(9-15)10-20-17-7-8-19-18(22-17)14-5-6-14/h2-4,7-9,11-12,14H,5-6,10H2,1H3,(H,19,20,22)
InChIKeyMWIONXKUMYCCLV-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.37
Rot. Bonds5

About 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 133411504) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID133411504
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(CNc3ccnc(C4CC4)n3)c2)cn1
InChIInChI=1S/C18H19N5/c1-23-12-16(11-21-23)15-4-2-3-13(9-15)10-20-17-7-8-19-18(22-17)14-5-6-14/h2-4,7-9,11-12,14H,5-6,10H2,1H3,(H,19,20,22)
InChIKeyMWIONXKUMYCCLV-UHFFFAOYSA-N
XLogP3.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133411514
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
CID 133411663
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
6-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133411695
2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133411675
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 24963506
2-cyclopropyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 133297066
5-chloro-2-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]benzonitrile
CID 133411666
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2,4-bis(methylsulfonyl)aniline
CID 133411678

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (CID 133411504) is 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is Cn1cc(-c2cccc(CNc3ccnc(C4CC4)n3)c2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is MWIONXKUMYCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-23-12-16(11-21-23)15-4-2-3-13(9-15)10-20-17-7-8-19-18(22-17)14-5-6-14/h2-4,7-9,11-12,14H,5-6,10H2,1H3,(H,19,20,22).
What are the key properties of 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 305.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133411504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).