N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine

C14H21N5O — CID 50980960

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)CCCn2nc(C)cc2C)ncn1
InChIInChI=1S/C14H21N5O/c1-11-8-12(2)19(17-11)7-5-6-18(3)13-9-14(20-4)16-10-15-13/h8-10H,5-7H2,1-4H3
InChIKeyFIFUUAOAMKKJHS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 50980960) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID50980960
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)CCCn2nc(C)cc2C)ncn1
InChIInChI=1S/C14H21N5O/c1-11-8-12(2)19(17-11)7-5-6-18(3)13-9-14(20-4)16-10-15-13/h8-10H,5-7H2,1-4H3
InChIKeyFIFUUAOAMKKJHS-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine (CID 50980960) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine is COc1cc(N(C)CCCn2nc(C)cc2C)ncn1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is FIFUUAOAMKKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-8-12(2)19(17-11)7-5-6-18(3)13-9-14(20-4)16-10-15-13/h8-10H,5-7H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 50980960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).