N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

C15H22N6O — CID 45224391

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCOCc1cc(CNc2cc(C3CCNCC3)ncn2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-22-9-13-6-12(20-21-13)8-17-15-7-14(18-10-19-15)11-2-4-16-5-3-11/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyRNJZMULJOHYFKX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.43
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45224391) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45224391
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCOCc1cc(CNc2cc(C3CCNCC3)ncn2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-22-9-13-6-12(20-21-13)8-17-15-7-14(18-10-19-15)11-2-4-16-5-3-11/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyRNJZMULJOHYFKX-UHFFFAOYSA-N
XLogP1.43
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 72915073
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CID 72937346
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CID 167201445
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CID 135102138
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CID 137886061
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CID 171686761
CID 171686761

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45224391) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is COCc1cc(CNc2cc(C3CCNCC3)ncn2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is RNJZMULJOHYFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-22-9-13-6-12(20-21-13)8-17-15-7-14(18-10-19-15)11-2-4-16-5-3-11/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45224391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).