4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one

C8H14N4O2 — CID 136870574

IUPAC4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O2/c1-14-4-6(3-9)12-7-2-8(13)11-5-10-7/h2,5-6H,3-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyRDSKUSTVNVPTGT-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.84
Rot. Bonds5

About 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one

4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870574) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870574
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H14N4O2/c1-14-4-6(3-9)12-7-2-8(13)11-5-10-7/h2,5-6H,3-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyRDSKUSTVNVPTGT-UHFFFAOYSA-N
XLogP-0.84
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136473820
3-[3-Methoxy-2-(methylamino)propyl]pyrimidin-4-one
CID 107506246
4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586381
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095705
4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706914
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805713
4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805756
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870574) is 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CN)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RDSKUSTVNVPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-14-4-6(3-9)12-7-2-8(13)11-5-10-7/h2,5-6H,3-4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).