5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine

C9H14N4 — CID 170486747

IUPAC5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1C=CCCN
InChIInChI=1S/C9H14N4/c1-7-8(4-2-3-5-10)6-12-9(11)13-7/h2,4,6H,3,5,10H2,1H3,(H2,11,12,13)
InChIKeyGXODSFSEIHSYRB-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.73
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine

5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine (PubChem CID 170486747) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
PubChem CID170486747
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1C=CCCN
InChIInChI=1S/C9H14N4/c1-7-8(4-2-3-5-10)6-12-9(11)13-7/h2,4,6H,3,5,10H2,1H3,(H2,11,12,13)
InChIKeyGXODSFSEIHSYRB-UHFFFAOYSA-N
XLogP0.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
5-(4-bromobut-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 170498124
4-(6-methylpyrazin-2-yl)but-3-en-1-amine
CID 170486445
6-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
CID 170486618
6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495405
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
CID 178023722
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
CID 79591027
4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
CID 170486654
(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
CID 102838741
5-(4-aminobut-1-enyl)-1H-imidazol-2-amine
CID 91180702
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine (CID 170486747) is 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1C=CCCN.
What is the InChIKey of 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine?
The InChIKey is GXODSFSEIHSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-8(4-2-3-5-10)6-12-9(11)13-7/h2,4,6H,3,5,10H2,1H3,(H2,11,12,13).
What are the key properties of 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine?
5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 170486747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).