[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate

C18H25N5O3 — CID 175073261

IUPAC[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
SMILESCc1nc(-c2ccnc(OC(N)=O)n2)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C18H25N5O3/c1-11(2)9-18(4,20)10-25-15-6-5-13(22-12(15)3)14-7-8-21-17(23-14)26-16(19)24/h5-8,11H,9-10,20H2,1-4H3,(H2,19,24)/t18-/m0/s1
InChIKeyFZFJNMLBQXUSLX-SFHVURJKSA-N
MW359.43 g/mol
LogP2.45
Rot. Bonds7

About [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate

[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate (PubChem CID 175073261) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate.

Molecular Properties

Compound Name[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
PubChem CID175073261
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
SMILESCc1nc(-c2ccnc(OC(N)=O)n2)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C18H25N5O3/c1-11(2)9-18(4,20)10-25-15-6-5-13(22-12(15)3)14-7-8-21-17(23-14)26-16(19)24/h5-8,11H,9-10,20H2,1-4H3,(H2,19,24)/t18-/m0/s1
InChIKeyFZFJNMLBQXUSLX-SFHVURJKSA-N
XLogP2.45
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyrimidin-2-yl] N-methylcarbamate
CID 175068485
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
[4-[5-[(2R)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325687
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]-2-pyridinyl]-methylcarbamic acid
CID 135325635
(2S)-2,4-dimethyl-1-[(2-methyl-6-quinolin-4-yl-3-pyridinyl)oxy]pentan-2-amine
CID 118429691
tert-butyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]oxycarbonyl-N-methylcarbamate
CID 175067364
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
CID 175072590
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
CID 135282378
2-methyl-1-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]propan-2-amine
CID 135284444
methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate
CID 135390521

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate?
The IUPAC name of [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate (CID 175073261) is [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate.
What is the SMILES notation for [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate?
The canonical SMILES for [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate is Cc1nc(-c2ccnc(OC(N)=O)n2)ccc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate?
The InChIKey is FZFJNMLBQXUSLX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11(2)9-18(4,20)10-25-15-6-5-13(22-12(15)3)14-7-8-21-17(23-14)26-16(19)24/h5-8,11H,9-10,20H2,1-4H3,(H2,19,24)/t18-/m0/s1.
What are the key properties of [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate?
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate has a molecular weight of 359.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate is sourced from PubChem (CID 175073261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).