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

C8H15N5O2 — CID 136870578

IUPAC5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H15N5O2/c1-15-3-5(2-9)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,9-10H2,1H3,(H2,11,12,13,14)
InChIKeySBCSTNHFNQZBNW-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.26
Rot. Bonds5

About 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870578) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870578
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H15N5O2/c1-15-3-5(2-9)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,9-10H2,1H3,(H2,11,12,13,14)
InChIKeySBCSTNHFNQZBNW-UHFFFAOYSA-N
XLogP-1.26
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870578) is 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CN)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SBCSTNHFNQZBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-15-3-5(2-9)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,9-10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).