4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136951275

IUPAC4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(CCN)CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-8-9(14-7-15-10(8)16)13-6-11(2-3-11)4-5-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyUNTDIPUQGSRFOK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds6

About 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136951275) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136951275
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(CCN)CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-8-9(14-7-15-10(8)16)13-6-11(2-3-11)4-5-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16)
InChIKeyUNTDIPUQGSRFOK-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136951275) is 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(CCN)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UNTDIPUQGSRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-8-9(14-7-15-10(8)16)13-6-11(2-3-11)4-5-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136951275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).