N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C15H17N3O — CID 6546749

IUPACN-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1nc(C)nc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyBJFMPXPJFNJWKE-SECBINFHSA-N
MW255.32 g/mol
LogP3.89
Rot. Bonds3

About N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 6546749) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID6546749
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCC[C@@H](C)Nc1nc(C)nc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18)/t9-/m1/s1
InChIKeyBJFMPXPJFNJWKE-SECBINFHSA-N
XLogP3.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546532
(2R)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 943812
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546765
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2063127
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
2-methyl-N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride
CID 53312605
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1394504
(2R,3S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid
CID 2068766

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 6546749) is N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CC[C@@H](C)Nc1nc(C)nc2c1oc1ccccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is BJFMPXPJFNJWKE-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 6546749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).