N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C14H23FN4 — CID 103879834

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2(N(C)C)CCCC2)c1F
InChIInChI=1S/C14H23FN4/c1-4-11-12(15)13(18-10-17-11)16-9-14(19(2)3)7-5-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyOACAKNUGRLVLQR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 103879834) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID103879834
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2(N(C)C)CCCC2)c1F
InChIInChI=1S/C14H23FN4/c1-4-11-12(15)13(18-10-17-11)16-9-14(19(2)3)7-5-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyOACAKNUGRLVLQR-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 59777309
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-6-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271045
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 127050019
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
7-(cyclopentylmethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516377
N-Isopropyl-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-D]Azepin-4-Amine
CID 97516494
N-[3-(Dimethylamino)propyl]-2-methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-amine
CID 16876757

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 103879834) is N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCC2(N(C)C)CCCC2)c1F.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is OACAKNUGRLVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-4-11-12(15)13(18-10-17-11)16-9-14(19(2)3)7-5-6-8-14/h10H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103879834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).