3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C10H17N5O — CID 80855794

IUPAC3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(N)nc(N)n1
InChIInChI=1S/C10H17N5O/c1-15(5-6-2-7(16)3-6)9-4-8(11)13-10(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H4,11,12,13,14)
InChIKeyZARHSTQRTFLIMR-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.15
Rot. Bonds3

About 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80855794) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80855794
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(N)nc(N)n1
InChIInChI=1S/C10H17N5O/c1-15(5-6-2-7(16)3-6)9-4-8(11)13-10(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H4,11,12,13,14)
InChIKeyZARHSTQRTFLIMR-UHFFFAOYSA-N
XLogP-0.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
3-[[(6-hydrazinylpyrazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921853
3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 114071507
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
3-[[methyl-(5-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 106550382
4-N,4-N-dimethylpyrimidine-2,4,6-triamine
CID 23423800
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80855794) is 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1cc(N)nc(N)n1.
What is the InChIKey of 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ZARHSTQRTFLIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(5-6-2-7(16)3-6)9-4-8(11)13-10(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H4,11,12,13,14).
What are the key properties of 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 223.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80855794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).