2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

C12H20N4O2 — CID 114759552

IUPAC2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCOCc1nc(N)cc(NCC2(CCO)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(2-3-12)4-5-17/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeySTEQDULOVTUUNQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds7

About 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol

2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (PubChem CID 114759552) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
PubChem CID114759552
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
SMILESCOCc1nc(N)cc(NCC2(CCO)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(2-3-12)4-5-17/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeySTEQDULOVTUUNQ-UHFFFAOYSA-N
XLogP0.78
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457185
3-[2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 104696769
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114126574
2-[1-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757222
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154902085
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 113401015
2-[1-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 106776218
2-[1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749654
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106378823
2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702220
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol (CID 114759552) is 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is COCc1nc(N)cc(NCC2(CCO)CC2)n1.
What is the InChIKey of 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
The InChIKey is STEQDULOVTUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-7-11-15-9(13)6-10(16-11)14-8-12(2-3-12)4-5-17/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol?
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol has a molecular weight of 252.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).