ethane;molecular hydrogen;pyrimidin-4-amine

C6H13N3 — CID 143846150

IUPACethane;molecular hydrogen;pyrimidin-4-amine
SMILESCC.Nc1ccncn1.[H][H]
InChIInChI=1S/C4H5N3.C2H6.H2/c5-4-1-2-6-3-7-4;1-2;/h1-3H,(H2,5,6,7);1-2H3;1H
InChIKeyWWUDSKYRBWPZOK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.33
Rot. Bonds

About ethane;molecular hydrogen;pyrimidin-4-amine

ethane;molecular hydrogen;pyrimidin-4-amine (PubChem CID 143846150) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;molecular hydrogen;pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;pyrimidin-4-amine
PubChem CID143846150
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Nameethane;molecular hydrogen;pyrimidin-4-amine
SMILESCC.Nc1ccncn1.[H][H]
InChIInChI=1S/C4H5N3.C2H6.H2/c5-4-1-2-6-3-7-4;1-2;/h1-3H,(H2,5,6,7);1-2H3;1H
InChIKeyWWUDSKYRBWPZOK-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174458213
CID 174458213
cyclohexanamine;ethane;pyrimidin-4-amine
CID 144655058
ethane;pyrimidin-4-ylmethanamine
CID 90939628
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
ethane;molecular hydrogen;pyridine-3,4-diamine
CID 143900144
ethane;pyrimidine-4-carboxamide
CID 167507901
hydron;4-methylpyrimidine
CID 174915530
5-bromo-2,6-bis(3-methylpyrazol-1-yl)pyrimidin-4-amine;pyrimidin-4-amine
CID 158677292
ethane;bis(4-methylpyridine);4-methylpyrimidine
CID 143707387
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
dimethyl(pyrimidin-4-yl)phosphane
CID 137352498
pyrrolo[3,2-d][1,3]diazepine
CID 70359339

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;pyrimidin-4-amine?
The IUPAC name of ethane;molecular hydrogen;pyrimidin-4-amine (CID 143846150) is ethane;molecular hydrogen;pyrimidin-4-amine.
What is the SMILES notation for ethane;molecular hydrogen;pyrimidin-4-amine?
The canonical SMILES for ethane;molecular hydrogen;pyrimidin-4-amine is CC.Nc1ccncn1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;pyrimidin-4-amine?
The InChIKey is WWUDSKYRBWPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.C2H6.H2/c5-4-1-2-6-3-7-4;1-2;/h1-3H,(H2,5,6,7);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;pyrimidin-4-amine?
ethane;molecular hydrogen;pyrimidin-4-amine has a molecular weight of 127.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;pyrimidin-4-amine is sourced from PubChem (CID 143846150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).