4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one

C10H16N4O — CID 136792790

IUPAC4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c11-7-3-1-2-4-8(7)14-9-5-10(15)13-6-12-9/h5-8H,1-4,11H2,(H2,12,13,14,15)/t7-,8-/m1/s1
InChIKeyDQFNIFUCUWNWEG-HTQZYQBOSA-N
MW208.26 g/mol
LogP0.45
Rot. Bonds2

About 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one

4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136792790) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136792790
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c11-7-3-1-2-4-8(7)14-9-5-10(15)13-6-12-9/h5-8H,1-4,11H2,(H2,12,13,14,15)/t7-,8-/m1/s1
InChIKeyDQFNIFUCUWNWEG-HTQZYQBOSA-N
XLogP0.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-cyclohexylurea
CID 136084608
1-[2-(carbamoylamino)cyclohexyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136487873
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
3-[2-(Cyclohexylamino)ethyl]pyrimidin-4-one
CID 63795614
2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 101582824
1-cyclohexyl-3-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 121119447
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one (CID 136792790) is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one is N[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is DQFNIFUCUWNWEG-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16N4O/c11-7-3-1-2-4-8(7)14-9-5-10(15)13-6-12-9/h5-8H,1-4,11H2,(H2,12,13,14,15)/t7-,8-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136792790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).