N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine

C18H19FN6 — CID 171998007

IUPACN-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(c3ncnc4cc(F)ccc34)C2)n1
InChIInChI=1S/C18H19FN6/c1-12-5-7-20-18(23-12)24(2)14-6-8-25(10-14)17-15-4-3-13(19)9-16(15)21-11-22-17/h3-5,7,9,11,14H,6,8,10H2,1-2H3
InChIKeyAIQQBUFXJDOPKP-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine

N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 171998007) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
PubChem CID171998007
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC NameN-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(c3ncnc4cc(F)ccc34)C2)n1
InChIInChI=1S/C18H19FN6/c1-12-5-7-20-18(23-12)24(2)14-6-8-25(10-14)17-15-4-3-13(19)9-16(15)21-11-22-17/h3-5,7,9,11,14H,6,8,10H2,1-2H3
InChIKeyAIQQBUFXJDOPKP-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine (CID 171998007) is N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C2CCN(c3ncnc4cc(F)ccc34)C2)n1.
What is the InChIKey of N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is AIQQBUFXJDOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-12-5-7-20-18(23-12)24(2)14-6-8-25(10-14)17-15-4-3-13(19)9-16(15)21-11-22-17/h3-5,7,9,11,14H,6,8,10H2,1-2H3.
What are the key properties of N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).