ethane;pyrimidin-4-ylmethanamine

C7H13N3 — CID 90939628

IUPACethane;pyrimidin-4-ylmethanamine
SMILESCC.NCc1ccncn1
InChIInChI=1S/C5H7N3.C2H6/c6-3-5-1-2-7-4-8-5;1-2/h1-2,4H,3,6H2;1-2H3
InChIKeyFWQHYHKIBQFWHL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.96
Rot. Bonds1

About ethane;pyrimidin-4-ylmethanamine

ethane;pyrimidin-4-ylmethanamine (PubChem CID 90939628) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Nameethane;pyrimidin-4-ylmethanamine
PubChem CID90939628
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Nameethane;pyrimidin-4-ylmethanamine
SMILESCC.NCc1ccncn1
InChIInChI=1S/C5H7N3.C2H6/c6-3-5-1-2-7-4-8-5;1-2/h1-2,4H,3,6H2;1-2H3
InChIKeyFWQHYHKIBQFWHL-UHFFFAOYSA-N
XLogP0.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propylpyrimidine
CID 18996562
1-amino-3-pyrimidin-4-ylpropan-2-one
CID 177333601
4-(7-bromoheptyl)pyrimidine
CID 171785163
ethane;pyridin-2-ylmethanamine
CID 90791011
2-pyrimidin-4-ylacetonitrile
CID 14169572
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
CID 97304087
4-(2-bromobutyl)pyrimidine
CID 63203531
ethane;molecular hydrogen;pyrimidin-4-amine
CID 143846150
2-pyrimidin-4-ylacetohydrazide
CID 156821377
4-[(4-methylphenoxy)methyl]pyrimidine
CID 70843199
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851

Frequently Asked Questions

What is the IUPAC name of ethane;pyrimidin-4-ylmethanamine?
The IUPAC name of ethane;pyrimidin-4-ylmethanamine (CID 90939628) is ethane;pyrimidin-4-ylmethanamine.
What is the SMILES notation for ethane;pyrimidin-4-ylmethanamine?
The canonical SMILES for ethane;pyrimidin-4-ylmethanamine is CC.NCc1ccncn1.
What is the InChIKey of ethane;pyrimidin-4-ylmethanamine?
The InChIKey is FWQHYHKIBQFWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C2H6/c6-3-5-1-2-7-4-8-5;1-2/h1-2,4H,3,6H2;1-2H3.
What are the key properties of ethane;pyrimidin-4-ylmethanamine?
ethane;pyrimidin-4-ylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrimidin-4-ylmethanamine is sourced from PubChem (CID 90939628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).