N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H21N5O — CID 72922967

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5O/c1-10-13(11(2)18-17-10)5-6-19(3)14-7-12(8-20-4)15-9-16-14/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyQVPVZFZOWYKCLJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 72922967) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID72922967
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1
InChIInChI=1S/C14H21N5O/c1-10-13(11(2)18-17-10)5-6-19(3)14-7-12(8-20-4)15-9-16-14/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyQVPVZFZOWYKCLJ-UHFFFAOYSA-N
XLogP1.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 72873636
CID 72873636
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269334
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50959698
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 72840260
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135102138
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 45224391
4-(methoxymethyl)-2-(1H-pyrazol-5-yl)pyrimidine
CID 169575223
1-(4,6-dimethylpyrimidin-2-yl)-3-(methoxymethyl)-4-methyl-1H-pyrazol-5-amine
CID 33783748

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 72922967) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is COCc1cc(N(C)CCc2c(C)n[nH]c2C)ncn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QVPVZFZOWYKCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-13(11(2)18-17-10)5-6-19(3)14-7-12(8-20-4)15-9-16-14/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).