N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine

C14H25N3O — CID 113491509

IUPACN-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCCCC(COC)Nc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-12(9-18-5)16-14-15-11(4)8-13(17-14)10(2)3/h8,10,12H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyZBLLIHKQRMKJKZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.14
Rot. Bonds7

About N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 113491509) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID113491509
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCCCC(COC)Nc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-12(9-18-5)16-14-15-11(4)8-13(17-14)10(2)3/h8,10,12H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyZBLLIHKQRMKJKZ-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80837976
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
4-methyl-6-propan-2-yl-2-propoxypyrimidine
CID 176993586
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 113491509) is N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine is CCCC(COC)Nc1nc(C)cc(C(C)C)n1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is ZBLLIHKQRMKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-12(9-18-5)16-14-15-11(4)8-13(17-14)10(2)3/h8,10,12H,6-7,9H2,1-5H3,(H,15,16,17).
What are the key properties of N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 113491509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).