N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine

C14H21N5 — CID 72926999

IUPACN-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccn(CCCNc2cc(C(C)C)ncn2)n1
InChIInChI=1S/C14H21N5/c1-11(2)13-9-14(17-10-16-13)15-6-4-7-19-8-5-12(3)18-19/h5,8-11H,4,6-7H2,1-3H3,(H,15,16,17)
InChIKeyLHMDVNZJDXBMGF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine

N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 72926999) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID72926999
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccn(CCCNc2cc(C(C)C)ncn2)n1
InChIInChI=1S/C14H21N5/c1-11(2)13-9-14(17-10-16-13)15-6-4-7-19-8-5-12(3)18-19/h5,8-11H,4,6-7H2,1-3H3,(H,15,16,17)
InChIKeyLHMDVNZJDXBMGF-UHFFFAOYSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine (CID 72926999) is N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine is Cc1ccn(CCCNc2cc(C(C)C)ncn2)n1.
What is the InChIKey of N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is LHMDVNZJDXBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)13-9-14(17-10-16-13)15-6-4-7-19-8-5-12(3)18-19/h5,8-11H,4,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine?
N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrazol-1-yl)propyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72926999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).