2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine

C10H18N6O — CID 66581406

IUPAC2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
SMILESCc1ncc(CNCCCN=C(N)N)c(=O)[nH]1
InChIInChI=1S/C10H18N6O/c1-7-15-6-8(9(17)16-7)5-13-3-2-4-14-10(11)12/h6,13H,2-5H2,1H3,(H4,11,12,14)(H,15,16,17)
InChIKeyNLGGCMSSASKGMK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.17
Rot. Bonds6

About 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine

2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine (PubChem CID 66581406) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
PubChem CID66581406
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
SMILESCc1ncc(CNCCCN=C(N)N)c(=O)[nH]1
InChIInChI=1S/C10H18N6O/c1-7-15-6-8(9(17)16-7)5-13-3-2-4-14-10(11)12/h6,13H,2-5H2,1H3,(H4,11,12,14)(H,15,16,17)
InChIKeyNLGGCMSSASKGMK-UHFFFAOYSA-N
XLogP-1.17
TPSA122.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
5-[(tert-butylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206336
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine?
The IUPAC name of 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine (CID 66581406) is 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine.
What is the SMILES notation for 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine?
The canonical SMILES for 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine is Cc1ncc(CNCCCN=C(N)N)c(=O)[nH]1.
What is the InChIKey of 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine?
The InChIKey is NLGGCMSSASKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-7-15-6-8(9(17)16-7)5-13-3-2-4-14-10(11)12/h6,13H,2-5H2,1H3,(H4,11,12,14)(H,15,16,17).
What are the key properties of 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine?
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine has a molecular weight of 238.29 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine is sourced from PubChem (CID 66581406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).