8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine

C15H14FN5 — CID 118423308

IUPAC8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(N)nc2c(F)cccc12)c1ccccn1
InChIInChI=1S/C15H14FN5/c1-9(12-7-2-3-8-18-12)19-14-10-5-4-6-11(16)13(10)20-15(17)21-14/h2-9H,1H3,(H3,17,19,20,21)/t9-/m1/s1
InChIKeyABDJTCIAXVVFCT-SECBINFHSA-N
MW283.31 g/mol
LogP2.92
Rot. Bonds3

About 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine

8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine (PubChem CID 118423308) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
PubChem CID118423308
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(N)nc2c(F)cccc12)c1ccccn1
InChIInChI=1S/C15H14FN5/c1-9(12-7-2-3-8-18-12)19-14-10-5-4-6-11(16)13(10)20-15(17)21-14/h2-9H,1H3,(H3,17,19,20,21)/t9-/m1/s1
InChIKeyABDJTCIAXVVFCT-SECBINFHSA-N
XLogP2.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
CID 56730239
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 123632803
[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 74767836
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
5-(1-pyridin-2-ylethylamino)naphthalen-1-ol
CID 43742985

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The IUPAC name of 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine (CID 118423308) is 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The canonical SMILES for 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine is C[C@@H](Nc1nc(N)nc2c(F)cccc12)c1ccccn1.
What is the InChIKey of 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
The InChIKey is ABDJTCIAXVVFCT-SECBINFHSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9(12-7-2-3-8-18-12)19-14-10-5-4-6-11(16)13(10)20-15(17)21-14/h2-9H,1H3,(H3,17,19,20,21)/t9-/m1/s1.
What are the key properties of 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine?
8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine has a molecular weight of 283.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 118423308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).