6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine

C15H23N5O — CID 99612743

IUPAC6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@@H](CC)c2c(C)nn(C)c2C)ncn1
InChIInChI=1S/C15H23N5O/c1-6-12(15-10(3)19-20(5)11(15)4)18-13-8-14(21-7-2)17-9-16-13/h8-9,12H,6-7H2,1-5H3,(H,16,17,18)/t12-/m0/s1
InChIKeyRHHZQCRCHWJJTB-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds6

About 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine

6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 99612743) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID99612743
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@@H](CC)c2c(C)nn(C)c2C)ncn1
InChIInChI=1S/C15H23N5O/c1-6-12(15-10(3)19-20(5)11(15)4)18-13-8-14(21-7-2)17-9-16-13/h8-9,12H,6-7H2,1-5H3,(H,16,17,18)/t12-/m0/s1
InChIKeyRHHZQCRCHWJJTB-LBPRGKRZSA-N
XLogP2.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66330763
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
2-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]aniline
CID 133331811
1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133331840
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 80878427
3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133427128
6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
CID 133427882
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
CID 133331856
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 66328796

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine (CID 99612743) is 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine is CCOc1cc(N[C@@H](CC)c2c(C)nn(C)c2C)ncn1.
What is the InChIKey of 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is RHHZQCRCHWJJTB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-12(15-10(3)19-20(5)11(15)4)18-13-8-14(21-7-2)17-9-16-13/h8-9,12H,6-7H2,1-5H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine?
6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 99612743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).