N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine

C13H19N5 — CID 104696057

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccnn2C)ncn1
InChIInChI=1S/C13H19N5/c1-10(2)12-8-13(16-9-15-12)14-6-4-11-5-7-17-18(11)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeySEYVKXFQFKESSP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 104696057) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID104696057
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccnn2C)ncn1
InChIInChI=1S/C13H19N5/c1-10(2)12-8-13(16-9-15-12)14-6-4-11-5-7-17-18(11)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,16)
InChIKeySEYVKXFQFKESSP-UHFFFAOYSA-N
XLogP1.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 113442450
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 113234131
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337249
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337250
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 103007831
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine (CID 104696057) is N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCc2ccnn2C)ncn1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is SEYVKXFQFKESSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)12-8-13(16-9-15-12)14-6-4-11-5-7-17-18(11)3/h5,7-10H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 104696057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).