3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate

C15H27N5O3 — CID 130357948

IUPAC3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
SMILESCCCCC(CCOC(=O)NCC)Nc1nc(N)ncc1OC
InChIInChI=1S/C15H27N5O3/c1-4-6-7-11(8-9-23-15(21)17-5-2)19-13-12(22-3)10-18-14(16)20-13/h10-11H,4-9H2,1-3H3,(H,17,21)(H3,16,18,19,20)
InChIKeyHSLUGFUYTKSAFC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.17
Rot. Bonds10

About 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate

3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate (PubChem CID 130357948) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate.

Molecular Properties

Compound Name3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
PubChem CID130357948
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Name3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
SMILESCCCCC(CCOC(=O)NCC)Nc1nc(N)ncc1OC
InChIInChI=1S/C15H27N5O3/c1-4-6-7-11(8-9-23-15(21)17-5-2)19-13-12(22-3)10-18-14(16)20-13/h10-11H,4-9H2,1-3H3,(H,17,21)(H3,16,18,19,20)
InChIKeyHSLUGFUYTKSAFC-UHFFFAOYSA-N
XLogP2.17
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-4-N-[(4S)-oct-1-en-4-yl]pyrimidine-2,4-diamine
CID 89318038
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane
CID 159093487
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
CID 126699792
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
CID 70856475
2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
CID 123296948
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
4-[[2-amino-4-(1-hydroxyheptan-3-ylamino)-6-methylpyrimidin-5-yl]methyl]-3-methoxybenzoic acid
CID 66821116
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate?
The IUPAC name of 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate (CID 130357948) is 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate.
What is the SMILES notation for 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate?
The canonical SMILES for 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate is CCCCC(CCOC(=O)NCC)Nc1nc(N)ncc1OC.
What is the InChIKey of 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate?
The InChIKey is HSLUGFUYTKSAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-4-6-7-11(8-9-23-15(21)17-5-2)19-13-12(22-3)10-18-14(16)20-13/h10-11H,4-9H2,1-3H3,(H,17,21)(H3,16,18,19,20).
What are the key properties of 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate?
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 2.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate is sourced from PubChem (CID 130357948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).