N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine

C13H20N4 — CID 114221002

IUPACN,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine
SMILESC#CCN(C)c1nc(C)cc(CNC(C)C)n1
InChIInChI=1S/C13H20N4/c1-6-7-17(5)13-15-11(4)8-12(16-13)9-14-10(2)3/h1,8,10,14H,7,9H2,2-5H3
InChIKeyKMQSVDPXEMCAOW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.35
Rot. Bonds5

About N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine

N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine (PubChem CID 114221002) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine
PubChem CID114221002
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine
SMILESC#CCN(C)c1nc(C)cc(CNC(C)C)n1
InChIInChI=1S/C13H20N4/c1-6-7-17(5)13-15-11(4)8-12(16-13)9-14-10(2)3/h1,8,10,14H,7,9H2,2-5H3
InChIKeyKMQSVDPXEMCAOW-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
N-[[6-methyl-2-(3-methylcyclopentyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65415250
N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62746574
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726
N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79964514
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
N-[[6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65129070
N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 114221213
N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65415249
4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 119045940
N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine
CID 119046108

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine (CID 114221002) is N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine is C#CCN(C)c1nc(C)cc(CNC(C)C)n1.
What is the InChIKey of N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine?
The InChIKey is KMQSVDPXEMCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-6-7-17(5)13-15-11(4)8-12(16-13)9-14-10(2)3/h1,8,10,14H,7,9H2,2-5H3.
What are the key properties of N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine?
N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine is sourced from PubChem (CID 114221002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).