N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H14FN5S — CID 25358367

IUPACN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2sccc12)c1cccc(F)c1
InChIInChI=1S/C17H14FN5S/c1-23-7-6-19-16(23)14(11-3-2-4-12(18)9-11)22-15-13-5-8-24-17(13)21-10-20-15/h2-10,14H,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyJWPOIPHWLZPRCP-CQSZACIVSA-N
MW339.40 g/mol
LogP3.77
Rot. Bonds4

About N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 25358367) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID25358367
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCn1ccnc1[C@H](Nc1ncnc2sccc12)c1cccc(F)c1
InChIInChI=1S/C17H14FN5S/c1-23-7-6-19-16(23)14(11-3-2-4-12(18)9-11)22-15-13-5-8-24-17(13)21-10-20-15/h2-10,14H,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyJWPOIPHWLZPRCP-CQSZACIVSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17396876
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26020095
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 110022496
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18109327
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541742

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 25358367) is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cn1ccnc1[C@H](Nc1ncnc2sccc12)c1cccc(F)c1.
What is the InChIKey of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JWPOIPHWLZPRCP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14FN5S/c1-23-7-6-19-16(23)14(11-3-2-4-12(18)9-11)22-15-13-5-8-24-17(13)21-10-20-15/h2-10,14H,1H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25358367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).