[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea

C11H17FN6O — CID 70976744

IUPAC[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea
SMILESNC(=O)NCC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H17FN6O/c12-8-6-15-10(13)17-9(8)18-3-1-7(2-4-18)5-16-11(14)19/h6-7H,1-5H2,(H2,13,15,17)(H3,14,16,19)
InChIKeyJWTFXJAKWNJKGB-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.08
Rot. Bonds3

About [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea

[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea (PubChem CID 70976744) has the molecular formula C11H17FN6O and a molecular weight of 268.30 g/mol. Its IUPAC name is [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea.

Molecular Properties

Compound Name[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea
PubChem CID70976744
Molecular FormulaC11H17FN6O
Molecular Weight268.30 g/mol
Exact Mass268.14
IUPAC Name[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea
SMILESNC(=O)NCC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H17FN6O/c12-8-6-15-10(13)17-9(8)18-3-1-7(2-4-18)5-16-11(14)19/h6-7H,1-5H2,(H2,13,15,17)(H3,14,16,19)
InChIKeyJWTFXJAKWNJKGB-UHFFFAOYSA-N
XLogP0.08
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 50974730
N-[2-(pyrimidin-2-ylamino)ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084899
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
1,1-Dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea
CID 118739191
2-{1-[2-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-isobutylacetamide
CID 53189293
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189393
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 117072448
Carbamic acid, N-(1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl)-, 1,1-dimethylethyl ester
CID 56763778
N,N-diethyl-2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 53189299

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea?
The IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea (CID 70976744) is [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea.
What is the SMILES notation for [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea?
The canonical SMILES for [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea is NC(=O)NCC1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea?
The InChIKey is JWTFXJAKWNJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN6O/c12-8-6-15-10(13)17-9(8)18-3-1-7(2-4-18)5-16-11(14)19/h6-7H,1-5H2,(H2,13,15,17)(H3,14,16,19).
What are the key properties of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea?
[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea has a molecular weight of 268.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea is sourced from PubChem (CID 70976744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).