2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

C13H19ClN4O2 — CID 135539665

IUPAC2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(N)[nH]c(=O)c1CCCNCc1ccco1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-9-11(12(18)17-13(14)16-9)5-2-6-15-8-10-4-3-7-19-10;/h3-4,7,15H,2,5-6,8H2,1H3,(H3,14,16,17,18);1H
InChIKeyMETDSJCLMPCRBA-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.40
Rot. Bonds6

About 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 135539665) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID135539665
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(N)[nH]c(=O)c1CCCNCc1ccco1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-9-11(12(18)17-13(14)16-9)5-2-6-15-8-10-4-3-7-19-10;/h3-4,7,15H,2,5-6,8H2,1H3,(H3,14,16,17,18);1H
InChIKeyMETDSJCLMPCRBA-UHFFFAOYSA-N
XLogP1.40
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
4-(aminomethyl)-N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]benzenesulfonamide;hydrochloride
CID 135539664
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 115618496
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
2-amino-5-[3-[4-[(Z)-4-chloro-3-oxobut-1-enyl]anilino]propyl]-4-methyl-1H-pyrimidin-6-one
CID 136795124
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135457912
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 135539665) is 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc(N)[nH]c(=O)c1CCCNCc1ccco1.Cl.
What is the InChIKey of 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is METDSJCLMPCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-9-11(12(18)17-13(14)16-9)5-2-6-15-8-10-4-3-7-19-10;/h3-4,7,15H,2,5-6,8H2,1H3,(H3,14,16,17,18);1H.
What are the key properties of 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?
2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 135539665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).