N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine

C14H20ClN5O — CID 72840260

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCCn2nc(C)c(Cl)c2C)ncn1
InChIInChI=1S/C14H20ClN5O/c1-10-14(15)11(2)20(19-10)6-4-5-16-13-7-12(8-21-3)17-9-18-13/h7,9H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyBSDYGIBKNBQQTQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 72840260) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID72840260
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCCn2nc(C)c(Cl)c2C)ncn1
InChIInChI=1S/C14H20ClN5O/c1-10-14(15)11(2)20(19-10)6-4-5-16-13-7-12(8-21-3)17-9-18-13/h7,9H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyBSDYGIBKNBQQTQ-UHFFFAOYSA-N
XLogP2.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 72840260) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCCCn2nc(C)c(Cl)c2C)ncn1.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is BSDYGIBKNBQQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-10-14(15)11(2)20(19-10)6-4-5-16-13-7-12(8-21-3)17-9-18-13/h7,9H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 72840260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).