N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C13H17N5 — CID 83189031

IUPACN-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1cnn(-c2ncc(CNC3CC3)c(C)n2)c1
InChIInChI=1S/C13H17N5/c1-9-5-16-18(8-9)13-15-7-11(10(2)17-13)6-14-12-3-4-12/h5,7-8,12,14H,3-4,6H2,1-2H3
InChIKeyYKQWGWMEIOQLGR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83189031) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83189031
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1cnn(-c2ncc(CNC3CC3)c(C)n2)c1
InChIInChI=1S/C13H17N5/c1-9-5-16-18(8-9)13-15-7-11(10(2)17-13)6-14-12-3-4-12/h5,7-8,12,14H,3-4,6H2,1-2H3
InChIKeyYKQWGWMEIOQLGR-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114412620
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186135
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189340
N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185756
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 83189031) is N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1cnn(-c2ncc(CNC3CC3)c(C)n2)c1.
What is the InChIKey of N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is YKQWGWMEIOQLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-5-16-18(8-9)13-15-7-11(10(2)17-13)6-14-12-3-4-12/h5,7-8,12,14H,3-4,6H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 243.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83189031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).