1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine

C19H27N3 — CID 175742427

IUPAC1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
SMILESCC(C)N1C=CC(N[C@@H](C)c2ccc3c(c2)CCCC3)=NC1
InChIInChI=1S/C19H27N3/c1-14(2)22-11-10-19(20-13-22)21-15(3)17-9-8-16-6-4-5-7-18(16)12-17/h8-12,14-15H,4-7,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyOHRZZXCUQNROPD-HNNXBMFYSA-N
MW297.45 g/mol
LogP3.81
Rot. Bonds3

About 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine

1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine (PubChem CID 175742427) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
PubChem CID175742427
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
SMILESCC(C)N1C=CC(N[C@@H](C)c2ccc3c(c2)CCCC3)=NC1
InChIInChI=1S/C19H27N3/c1-14(2)22-11-10-19(20-13-22)21-15(3)17-9-8-16-6-4-5-7-18(16)12-17/h8-12,14-15H,4-7,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyOHRZZXCUQNROPD-HNNXBMFYSA-N
XLogP3.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
CID 175727632
4-[1-[(1-propan-2-yl-2H-pyrimidin-4-yl)amino]ethyl]phenol
CID 174940329
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 163377856
1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine
CID 107649398
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728901

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine (CID 175742427) is 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine is CC(C)N1C=CC(N[C@@H](C)c2ccc3c(c2)CCCC3)=NC1.
What is the InChIKey of 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine?
The InChIKey is OHRZZXCUQNROPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3/c1-14(2)22-11-10-19(20-13-22)21-15(3)17-9-8-16-6-4-5-7-18(16)12-17/h8-12,14-15H,4-7,13H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine?
1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine has a molecular weight of 297.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine is sourced from PubChem (CID 175742427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).