N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine

C28H34F2N8 — CID 170739914

IUPACN-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine
SMILESCN1CC2(CCN(c3cc(C(F)F)cc4cnc(NC5CCN(c6ncc(C7CC7)cn6)CC5)nc34)C2)C1
InChIInChI=1S/C28H34F2N8/c1-36-15-28(16-36)6-9-38(17-28)23-11-19(25(29)30)10-20-12-31-26(35-24(20)23)34-22-4-7-37(8-5-22)27-32-13-21(14-33-27)18-2-3-18/h10-14,18,22,25H,2-9,15-17H2,1H3,(H,31,34,35)
InChIKeyLEVUBWUYEVUJIV-UHFFFAOYSA-N
MW520.63 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine

N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine (PubChem CID 170739914) has the molecular formula C28H34F2N8 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine
PubChem CID170739914
Molecular FormulaC28H34F2N8
Molecular Weight520.63 g/mol
Exact Mass520.29
IUPAC NameN-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine
SMILESCN1CC2(CCN(c3cc(C(F)F)cc4cnc(NC5CCN(c6ncc(C7CC7)cn6)CC5)nc34)C2)C1
InChIInChI=1S/C28H34F2N8/c1-36-15-28(16-36)6-9-38(17-28)23-11-19(25(29)30)10-20-12-31-26(35-24(20)23)34-22-4-7-37(8-5-22)27-32-13-21(14-33-27)18-2-3-18/h10-14,18,22,25H,2-9,15-17H2,1H3,(H,31,34,35)
InChIKeyLEVUBWUYEVUJIV-UHFFFAOYSA-N
XLogP4.46
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine?
The IUPAC name of N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine (CID 170739914) is N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine.
What is the SMILES notation for N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine?
The canonical SMILES for N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine is CN1CC2(CCN(c3cc(C(F)F)cc4cnc(NC5CCN(c6ncc(C7CC7)cn6)CC5)nc34)C2)C1.
What is the InChIKey of N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine?
The InChIKey is LEVUBWUYEVUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N8/c1-36-15-28(16-36)6-9-38(17-28)23-11-19(25(29)30)10-20-12-31-26(35-24(20)23)34-22-4-7-37(8-5-22)27-32-13-21(14-33-27)18-2-3-18/h10-14,18,22,25H,2-9,15-17H2,1H3,(H,31,34,35).
What are the key properties of N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine?
N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine has a molecular weight of 520.63 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-6-(difluoromethyl)-8-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)quinazolin-2-amine is sourced from PubChem (CID 170739914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).