3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C14H22N4O — CID 80960076

IUPAC3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1cc(NCC2CC(O)C2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-2-15-12-7-13(16-8-9-5-11(19)6-9)18-14(17-12)10-3-4-10/h7,9-11,19H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyBPRLPBLBBURMSO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.97
Rot. Bonds6

About 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80960076) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80960076
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCNc1cc(NCC2CC(O)C2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-2-15-12-7-13(16-8-9-5-11(19)6-9)18-14(17-12)10-3-4-10/h7,9-11,19H,2-6,8H2,1H3,(H2,15,16,17,18)
InChIKeyBPRLPBLBBURMSO-UHFFFAOYSA-N
XLogP1.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80960076) is 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCNc1cc(NCC2CC(O)C2)nc(C2CC2)n1.
What is the InChIKey of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is BPRLPBLBBURMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-15-12-7-13(16-8-9-5-11(19)6-9)18-14(17-12)10-3-4-10/h7,9-11,19H,2-6,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80960076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).