N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C14H16N6S — CID 138386644

IUPACN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2csc(N3CCCC3)n2)c2[nH]ccc2n1
InChIInChI=1S/C14H16N6S/c1-2-6-20(5-1)14-19-10(8-21-14)7-16-13-12-11(3-4-15-12)17-9-18-13/h3-4,8-9,15H,1-2,5-7H2,(H,16,17,18)
InChIKeyUIDSQWFKSZAPLV-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 138386644) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID138386644
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCc2csc(N3CCCC3)n2)c2[nH]ccc2n1
InChIInChI=1S/C14H16N6S/c1-2-6-20(5-1)14-19-10(8-21-14)7-16-13-12-11(3-4-15-12)17-9-18-13/h3-4,8-9,15H,1-2,5-7H2,(H,16,17,18)
InChIKeyUIDSQWFKSZAPLV-UHFFFAOYSA-N
XLogP2.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 138386644) is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is c1nc(NCc2csc(N3CCCC3)n2)c2[nH]ccc2n1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is UIDSQWFKSZAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-6-20(5-1)14-19-10(8-21-14)7-16-13-12-11(3-4-15-12)17-9-18-13/h3-4,8-9,15H,1-2,5-7H2,(H,16,17,18).
What are the key properties of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138386644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).