N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine

C15H28N4O — CID 106048616

IUPACN'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(OC(C)C)nc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-11(2)19(6)9-7-8-16-15-17-13(5)10-14(18-15)20-12(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyCLNXPISSLKRUDA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.71
Rot. Bonds8

About N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106048616) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106048616
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(OC(C)C)nc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-11(2)19(6)9-7-8-16-15-17-13(5)10-14(18-15)20-12(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyCLNXPISSLKRUDA-UHFFFAOYSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.71
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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Related Compounds

5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113491499
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 106048616) is N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine is Cc1cc(OC(C)C)nc(NCCCN(C)C(C)C)n1.
What is the InChIKey of N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CLNXPISSLKRUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)19(6)9-7-8-16-15-17-13(5)10-14(18-15)20-12(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18).
What are the key properties of N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106048616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).