4-methyl-N-pent-3-ynylpyrimidin-2-amine

C10H13N3 — CID 116644591

IUPAC4-methyl-N-pent-3-ynylpyrimidin-2-amine
SMILESCC#CCCNc1nccc(C)n1
InChIInChI=1S/C10H13N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h6,8H,5,7H2,1-2H3,(H,11,12,13)
InChIKeyNNQJTILCQZEYNP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.61
Rot. Bonds3

About 4-methyl-N-pent-3-ynylpyrimidin-2-amine

4-methyl-N-pent-3-ynylpyrimidin-2-amine (PubChem CID 116644591) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-N-pent-3-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pent-3-ynylpyrimidin-2-amine
PubChem CID116644591
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-methyl-N-pent-3-ynylpyrimidin-2-amine
SMILESCC#CCCNc1nccc(C)n1
InChIInChI=1S/C10H13N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h6,8H,5,7H2,1-2H3,(H,11,12,13)
InChIKeyNNQJTILCQZEYNP-UHFFFAOYSA-N
XLogP1.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
CID 133304625
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 133309962
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pent-3-ynylpyrimidin-2-amine?
The IUPAC name of 4-methyl-N-pent-3-ynylpyrimidin-2-amine (CID 116644591) is 4-methyl-N-pent-3-ynylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-pent-3-ynylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-pent-3-ynylpyrimidin-2-amine is CC#CCCNc1nccc(C)n1.
What is the InChIKey of 4-methyl-N-pent-3-ynylpyrimidin-2-amine?
The InChIKey is NNQJTILCQZEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h6,8H,5,7H2,1-2H3,(H,11,12,13).
What are the key properties of 4-methyl-N-pent-3-ynylpyrimidin-2-amine?
4-methyl-N-pent-3-ynylpyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pent-3-ynylpyrimidin-2-amine is sourced from PubChem (CID 116644591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).