N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C15H21N5S — CID 56897832

IUPACN,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)Cc3csc(C(C)C)n3)n1)CNC2
InChIInChI=1S/C15H21N5S/c1-9(2)15-19-11(8-21-15)7-20(4)14-12-5-16-6-13(12)17-10(3)18-14/h8-9,16H,5-7H2,1-4H3
InChIKeyMVIRLELDYVPKGV-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.60
Rot. Bonds4

About N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56897832) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56897832
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)Cc3csc(C(C)C)n3)n1)CNC2
InChIInChI=1S/C15H21N5S/c1-9(2)15-19-11(8-21-15)7-20(4)14-12-5-16-6-13(12)17-10(3)18-14/h8-9,16H,5-7H2,1-4H3
InChIKeyMVIRLELDYVPKGV-UHFFFAOYSA-N
XLogP2.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56897832) is N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(N(C)Cc3csc(C(C)C)n3)n1)CNC2.
What is the InChIKey of N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MVIRLELDYVPKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-9(2)15-19-11(8-21-15)7-20(4)14-12-5-16-6-13(12)17-10(3)18-14/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56897832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).