4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H18N4O3 — CID 136901085

IUPAC4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CCN)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O3/c1-16-5-7(3-4-11)14-9-8(17-2)10(15)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyAKJMDVXINNZXJX-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.45
Rot. Bonds7

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

4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136901085) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136901085
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CCN)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O3/c1-16-5-7(3-4-11)14-9-8(17-2)10(15)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyAKJMDVXINNZXJX-UHFFFAOYSA-N
XLogP-0.45
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671885
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696625
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136901085) is 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COCC(CCN)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is AKJMDVXINNZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-16-5-7(3-4-11)14-9-8(17-2)10(15)13-6-12-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).