4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine

C11H18FN5 — CID 80824832

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine
SMILESCN(C)CC1CCCN1c1nc(N)ncc1F
InChIInChI=1S/C11H18FN5/c1-16(2)7-8-4-3-5-17(8)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyITUSCSQKEHIKBG-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.73
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine (PubChem CID 80824832) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine
PubChem CID80824832
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine
SMILESCN(C)CC1CCCN1c1nc(N)ncc1F
InChIInChI=1S/C11H18FN5/c1-16(2)7-8-4-3-5-17(8)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyITUSCSQKEHIKBG-UHFFFAOYSA-N
XLogP0.73
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80773841
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
CID 80790059
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrazin-2-amine
CID 80653400
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
CID 80825349
2-[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanamine
CID 80634931
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 66274947
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80825001
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine (CID 80824832) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine is CN(C)CC1CCCN1c1nc(N)ncc1F.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is ITUSCSQKEHIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-16(2)7-8-4-3-5-17(8)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80824832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).