3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C10H15ClN4O — CID 114632994

IUPAC3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(N)ncc1Cl
InChIInChI=1S/C10H15ClN4O/c1-10(2)6(3-7(10)16)14-8-5(11)4-13-9(12)15-8/h4,6-7,16H,3H2,1-2H3,(H3,12,13,14,15)
InChIKeyCBXMRLCNMWSFEW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.28
Rot. Bonds2

About 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114632994) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114632994
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(N)ncc1Cl
InChIInChI=1S/C10H15ClN4O/c1-10(2)6(3-7(10)16)14-8-5(11)4-13-9(12)15-8/h4,6-7,16H,3H2,1-2H3,(H3,12,13,14,15)
InChIKeyCBXMRLCNMWSFEW-UHFFFAOYSA-N
XLogP1.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114632994) is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1nc(N)ncc1Cl.
What is the InChIKey of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is CBXMRLCNMWSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(2)6(3-7(10)16)14-8-5(11)4-13-9(12)15-8/h4,6-7,16H,3H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114632994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).