N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C19H23N3O2 — CID 125178474

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc2c(cc1CNc1cc([C@H]3CCOC3)ncn1)CCC2
InChIInChI=1S/C19H23N3O2/c1-23-18-8-14-4-2-3-13(14)7-16(18)10-20-19-9-17(21-12-22-19)15-5-6-24-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyYWTDTTACHVWGLP-HNNXBMFYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds5

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125178474) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125178474
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc2c(cc1CNc1cc([C@H]3CCOC3)ncn1)CCC2
InChIInChI=1S/C19H23N3O2/c1-23-18-8-14-4-2-3-13(14)7-16(18)10-20-19-9-17(21-12-22-19)15-5-6-24-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyYWTDTTACHVWGLP-HNNXBMFYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 125178474) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is COc1cc2c(cc1CNc1cc([C@H]3CCOC3)ncn1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is YWTDTTACHVWGLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-18-8-14-4-2-3-13(14)7-16(18)10-20-19-9-17(21-12-22-19)15-5-6-24-11-15/h7-9,12,15H,2-6,10-11H2,1H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 325.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125178474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).