4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine

C10H18FN5 — CID 80816916

IUPAC4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
SMILESCN(C)CCCCNc1nc(N)ncc1F
InChIInChI=1S/C10H18FN5/c1-16(2)6-4-3-5-13-9-8(11)7-14-10(12)15-9/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJVGRSDSEKNISEA-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.95
Rot. Bonds6

About 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine

4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 80816916) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID80816916
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
SMILESCN(C)CCCCNc1nc(N)ncc1F
InChIInChI=1S/C10H18FN5/c1-16(2)6-4-3-5-13-9-8(11)7-14-10(12)15-9/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJVGRSDSEKNISEA-UHFFFAOYSA-N
XLogP0.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 67281962
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
5-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 68646518
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
N-(2-chloro-5-fluoropyrimidin-4-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79081852
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine (CID 80816916) is 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine is CN(C)CCCCNc1nc(N)ncc1F.
What is the InChIKey of 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is JVGRSDSEKNISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5/c1-16(2)6-4-3-5-13-9-8(11)7-14-10(12)15-9/h7H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine?
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 227.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80816916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).