N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine

C15H23N5O — CID 50959698

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1cc(CN(C)c2cc(C(C)C)nc(C)n2)[nH]n1
InChIInChI=1S/C15H23N5O/c1-10(2)14-7-15(17-11(3)16-14)20(4)8-12-6-13(9-21-5)19-18-12/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyCHGZOXROKQUNAO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds6

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

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 50959698) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID50959698
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1cc(CN(C)c2cc(C(C)C)nc(C)n2)[nH]n1
InChIInChI=1S/C15H23N5O/c1-10(2)14-7-15(17-11(3)16-14)20(4)8-12-6-13(9-21-5)19-18-12/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyCHGZOXROKQUNAO-UHFFFAOYSA-N
XLogP2.41
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
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
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126450756
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
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 39741239
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 39801890
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 50961389
5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine
CID 50961907

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine (CID 50959698) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine is COCc1cc(CN(C)c2cc(C(C)C)nc(C)n2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CHGZOXROKQUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)14-7-15(17-11(3)16-14)20(4)8-12-6-13(9-21-5)19-18-12/h6-7,10H,8-9H2,1-5H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50959698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).