N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine

C13H19N5 — CID 39817809

IUPACN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N[C@@H](C)c2cn(C)nc2C)n1
InChIInChI=1S/C13H19N5/c1-8-6-9(2)15-13(14-8)16-10(3)12-7-18(5)17-11(12)4/h6-7,10H,1-5H3,(H,14,15,16)/t10-/m0/s1
InChIKeySHPZXVXGTLLPQA-JTQLQIEISA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds3

About N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 39817809) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID39817809
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N[C@@H](C)c2cn(C)nc2C)n1
InChIInChI=1S/C13H19N5/c1-8-6-9(2)15-13(14-8)16-10(3)12-7-18(5)17-11(12)4/h6-7,10H,1-5H3,(H,14,15,16)/t10-/m0/s1
InChIKeySHPZXVXGTLLPQA-JTQLQIEISA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 39817809) is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N[C@@H](C)c2cn(C)nc2C)n1.
What is the InChIKey of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SHPZXVXGTLLPQA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5/c1-8-6-9(2)15-13(14-8)16-10(3)12-7-18(5)17-11(12)4/h6-7,10H,1-5H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 39817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).