6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine

C13H18ClN3 — CID 106196052

IUPAC6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
SMILESC#CCC(C)Nc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C13H18ClN3/c1-5-7-9(3)15-13-10(4)12(14)16-11(17-13)8-6-2/h1,9H,6-8H2,2-4H3,(H,15,16,17)
InChIKeyBCFFNPKYCMKDMI-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.21
Rot. Bonds5

About 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine (PubChem CID 106196052) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
PubChem CID106196052
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
SMILESC#CCC(C)Nc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C13H18ClN3/c1-5-7-9(3)15-13-10(4)12(14)16-11(17-13)8-6-2/h1,9H,6-8H2,2-4H3,(H,15,16,17)
InChIKeyBCFFNPKYCMKDMI-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
CID 80972613
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80979585
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80978749
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine (CID 106196052) is 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine is C#CCC(C)Nc1nc(CCC)nc(Cl)c1C.
What is the InChIKey of 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine?
The InChIKey is BCFFNPKYCMKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-5-7-9(3)15-13-10(4)12(14)16-11(17-13)8-6-2/h1,9H,6-8H2,2-4H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106196052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).