2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C11H18N4S — CID 103065324

IUPAC2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCSC2)n1
InChIInChI=1S/C11H18N4S/c1-7(2)11-14-9(12)5-10(15-11)13-8-3-4-16-6-8/h5,7-8H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyNIVXLSOERGIHPU-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.10
Rot. Bonds3

About 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 103065324) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID103065324
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCSC2)n1
InChIInChI=1S/C11H18N4S/c1-7(2)11-14-9(12)5-10(15-11)13-8-3-4-16-6-8/h5,7-8H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyNIVXLSOERGIHPU-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 103065324) is 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC2CCSC2)n1.
What is the InChIKey of 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is NIVXLSOERGIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-7(2)11-14-9(12)5-10(15-11)13-8-3-4-16-6-8/h5,7-8H,3-4,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 103065324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).