N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine

C15H27N3O — CID 58313531

IUPACN-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine
SMILESCOc1ncncc1C(C)CCCN(C)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-12(8-7-9-18(5)15(2,3)4)13-10-16-11-17-14(13)19-6/h10-12H,7-9H2,1-6H3
InChIKeySULLTNXJNQDOIM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.10
Rot. Bonds6

About N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine

N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine (PubChem CID 58313531) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine
PubChem CID58313531
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine
SMILESCOc1ncncc1C(C)CCCN(C)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-12(8-7-9-18(5)15(2,3)4)13-10-16-11-17-14(13)19-6/h10-12H,7-9H2,1-6H3
InChIKeySULLTNXJNQDOIM-UHFFFAOYSA-N
XLogP3.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-methoxypyrimidin-5-yl)propan-1-ol
CID 82655096
N-tert-butyl-N-methyl-4-(1-methylindol-7-yl)pentan-1-amine
CID 58313645
4-methoxy-N,N-dimethylpyrimidin-5-amine
CID 173064596
5-tert-butyl-4-methoxypyrimidine
CID 58432984
(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 19702800
4-methoxy-5-[(1S)-2-methyl-1-(4-methylphenyl)propyl]pyrimidine
CID 129395453
N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine
CID 58313525
[(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl] N,N-dimethylcarbamate
CID 54515955
4-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-5-amine
CID 79918434
4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
CID 79919093
5-(hydroperoxymethyl)-4-methoxypyrimidine
CID 155649595
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine (CID 58313531) is N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine is COc1ncncc1C(C)CCCN(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine?
The InChIKey is SULLTNXJNQDOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(8-7-9-18(5)15(2,3)4)13-10-16-11-17-14(13)19-6/h10-12H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine?
N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methoxypyrimidin-5-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 58313531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).