4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

C12H17N5 — CID 104626474

IUPAC4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-9-8-10(2)15-12(14-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyGFALSHGAPCXMPD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds4

About 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine

4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 104626474) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID104626474
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-9-8-10(2)15-12(14-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyGFALSHGAPCXMPD-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethyl-1H-pyrazol-1-yl)-N,N'-diethyl-1,3,5-triazine-2,4-diamine
CID 785953
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43316767
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
N-isopropyl-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591705
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 46942530
(1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine
CID 56915928
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine (CID 104626474) is 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is GFALSHGAPCXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-8-10(2)15-12(14-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 104626474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).