4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine

C13H21FN4 — CID 80798941

IUPAC4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NCC)ncc1F
InChIInChI=1S/C13H21FN4/c1-3-7-18(9-10-5-6-10)12-11(14)8-16-13(17-12)15-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPJRHKRLYEYCCNC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.67
Rot. Bonds7

About 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine

4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80798941) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
PubChem CID80798941
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NCC)ncc1F
InChIInChI=1S/C13H21FN4/c1-3-7-18(9-10-5-6-10)12-11(14)8-16-13(17-12)15-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyPJRHKRLYEYCCNC-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80799404
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80805960
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80845128
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
2-[benzyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80798327
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80810772
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine (CID 80798941) is 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine is CCCN(CC1CC1)c1nc(NCC)ncc1F.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is PJRHKRLYEYCCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-7-18(9-10-5-6-10)12-11(14)8-16-13(17-12)15-4-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 252.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N-ethyl-5-fluoro-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80798941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).