N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C15H27ClN4 — CID 80971344

IUPACN-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C15H27ClN4/c1-6-20(7-2)10-8-9-17-15-12(5)13(16)18-14(19-15)11(3)4/h11H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyGRUURCYWJDVIFH-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.71
Rot. Bonds8

About N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 80971344) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID80971344
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C15H27ClN4/c1-6-20(7-2)10-8-9-17-15-12(5)13(16)18-14(19-15)11(3)4/h11H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyGRUURCYWJDVIFH-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
3-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311301
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341647
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 80971344) is N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is GRUURCYWJDVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-6-20(7-2)10-8-9-17-15-12(5)13(16)18-14(19-15)11(3)4/h11H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 80971344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).