4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C18H23N5O — CID 143609927

IUPAC4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCc1ccc2oc3c(N4CCC[C@H](N(C)C)C4)nc(N)nc3c2c1
InChIInChI=1S/C18H23N5O/c1-11-6-7-14-13(9-11)15-16(24-14)17(21-18(19)20-15)23-8-4-5-12(10-23)22(2)3/h6-7,9,12H,4-5,8,10H2,1-3H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyQBXSCXHOWCKCJI-LBPRGKRZSA-N
MW325.42 g/mol
LogP2.80
Rot. Bonds2

About 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 143609927) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID143609927
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCc1ccc2oc3c(N4CCC[C@H](N(C)C)C4)nc(N)nc3c2c1
InChIInChI=1S/C18H23N5O/c1-11-6-7-14-13(9-11)15-16(24-14)17(21-18(19)20-15)23-8-4-5-12(10-23)22(2)3/h6-7,9,12H,4-5,8,10H2,1-3H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyQBXSCXHOWCKCJI-LBPRGKRZSA-N
XLogP2.80
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 143609927) is 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine is Cc1ccc2oc3c(N4CCC[C@H](N(C)C)C4)nc(N)nc3c2c1.
What is the InChIKey of 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is QBXSCXHOWCKCJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-6-7-14-13(9-11)15-16(24-14)17(21-18(19)20-15)23-8-4-5-12(10-23)22(2)3/h6-7,9,12H,4-5,8,10H2,1-3H3,(H2,19,20,21)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 143609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).