[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol

C14H22N4O — CID 91769741

IUPAC[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol
SMILESNC1CC(c2cc(NCC3(CO)CCC3)ncn2)C1
InChIInChI=1S/C14H22N4O/c15-11-4-10(5-11)12-6-13(18-9-17-12)16-7-14(8-19)2-1-3-14/h6,9-11,19H,1-5,7-8,15H2,(H,16,17,18)
InChIKeyPWEYUAGPTGMBLV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.26
Rot. Bonds5

About [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol

[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol (PubChem CID 91769741) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol
PubChem CID91769741
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol
SMILESNC1CC(c2cc(NCC3(CO)CCC3)ncn2)C1
InChIInChI=1S/C14H22N4O/c15-11-4-10(5-11)12-6-13(18-9-17-12)16-7-14(8-19)2-1-3-14/h6,9-11,19H,1-5,7-8,15H2,(H,16,17,18)
InChIKeyPWEYUAGPTGMBLV-UHFFFAOYSA-N
XLogP1.26
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol (CID 91769741) is [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol is NC1CC(c2cc(NCC3(CO)CCC3)ncn2)C1.
What is the InChIKey of [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol?
The InChIKey is PWEYUAGPTGMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-11-4-10(5-11)12-6-13(18-9-17-12)16-7-14(8-19)2-1-3-14/h6,9-11,19H,1-5,7-8,15H2,(H,16,17,18).
What are the key properties of [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol?
[1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol has a molecular weight of 262.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 91769741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).