6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

C12H17N5O — CID 66326198

IUPAC6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCOc1cc(NCCCc2cn[nH]c2C)ncn1
InChIInChI=1S/C12H17N5O/c1-9-10(7-16-17-9)4-3-5-13-11-6-12(18-2)15-8-14-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyKLUSKOGHJHGOCU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds6

About 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine

6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 66326198) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID66326198
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCOc1cc(NCCCc2cn[nH]c2C)ncn1
InChIInChI=1S/C12H17N5O/c1-9-10(7-16-17-9)4-3-5-13-11-6-12(18-2)15-8-14-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyKLUSKOGHJHGOCU-UHFFFAOYSA-N
XLogP1.56
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 60524007
5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 139018458
4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
CID 62862475
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-nitropyridin-2-amine
CID 79176492
5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
CID 136975236
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine (CID 66326198) is 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is COc1cc(NCCCc2cn[nH]c2C)ncn1.
What is the InChIKey of 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is KLUSKOGHJHGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-10(7-16-17-9)4-3-5-13-11-6-12(18-2)15-8-14-11/h6-8H,3-5H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine?
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 66326198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).