3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C18H24N6O — CID 91766054

IUPAC3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)nc2c1CCC2
InChIInChI=1S/C18H24N6O/c1-10-13-3-2-4-14(13)22-16(21-10)5-6-20-17-9-15(23-18(19)24-17)11-7-12(25)8-11/h9,11-12,25H,2-8H2,1H3,(H3,19,20,23,24)
InChIKeyRRZCSKLATGJDIH-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.54
Rot. Bonds5

About 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91766054) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91766054
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)nc2c1CCC2
InChIInChI=1S/C18H24N6O/c1-10-13-3-2-4-14(13)22-16(21-10)5-6-20-17-9-15(23-18(19)24-17)11-7-12(25)8-11/h9,11-12,25H,2-8H2,1H3,(H3,19,20,23,24)
InChIKeyRRZCSKLATGJDIH-UHFFFAOYSA-N
XLogP1.54
TPSA109.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91766054) is 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)nc2c1CCC2.
What is the InChIKey of 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is RRZCSKLATGJDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-10-13-3-2-4-14(13)22-16(21-10)5-6-20-17-9-15(23-18(19)24-17)11-7-12(25)8-11/h9,11-12,25H,2-8H2,1H3,(H3,19,20,23,24).
What are the key properties of 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 340.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91766054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).