3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione

C19H25N3O2 — CID 163377856

IUPAC3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N[C@@H](C)c2ccc3c(c2)CCCC3)[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-12(2)22-18(23)11-17(21-19(22)24)20-13(3)15-9-8-14-6-4-5-7-16(14)10-15/h8-13,20H,4-7H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyTZSQQPFYNVIGDG-ZDUSSCGKSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds4

About 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione

3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 163377856) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID163377856
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N[C@@H](C)c2ccc3c(c2)CCCC3)[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-12(2)22-18(23)11-17(21-19(22)24)20-13(3)15-9-8-14-6-4-5-7-16(14)10-15/h8-13,20H,4-7H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyTZSQQPFYNVIGDG-ZDUSSCGKSA-N
XLogP3.17
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
CID 175742427
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
CID 175727632
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
2-methoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 43110062
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione (CID 163377856) is 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(N[C@@H](C)c2ccc3c(c2)CCCC3)[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is TZSQQPFYNVIGDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)22-18(23)11-17(21-19(22)24)20-13(3)15-9-8-14-6-4-5-7-16(14)10-15/h8-13,20H,4-7H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione?
3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163377856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).