4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol

C10H16N4O — CID 112713639

IUPAC4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol
SMILESOc1cncnc1CN1CCCNCC1
InChIInChI=1S/C10H16N4O/c15-10-6-12-8-13-9(10)7-14-4-1-2-11-3-5-14/h6,8,11,15H,1-5,7H2
InChIKeyLMNIZSFPTUCJMJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.02
Rot. Bonds2

About 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol

4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol (PubChem CID 112713639) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol
PubChem CID112713639
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol
SMILESOc1cncnc1CN1CCCNCC1
InChIInChI=1S/C10H16N4O/c15-10-6-12-8-13-9(10)7-14-4-1-2-11-3-5-14/h6,8,11,15H,1-5,7H2
InChIKeyLMNIZSFPTUCJMJ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-diazepan-1-ylmethyl)pyrimidine-5-carboxylic acid
CID 102974209
2-(piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
1-(pyridin-4-ylmethyl)-1,4,8,11-tetrazacyclotetradecane
CID 71676639
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
1-[(5-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83890066
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
2-chloro-3-(piperazin-1-ylmethyl)pyrazine
CID 71640616
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol?
The IUPAC name of 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol (CID 112713639) is 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol.
What is the SMILES notation for 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol?
The canonical SMILES for 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol is Oc1cncnc1CN1CCCNCC1.
What is the InChIKey of 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol?
The InChIKey is LMNIZSFPTUCJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-6-12-8-13-9(10)7-14-4-1-2-11-3-5-14/h6,8,11,15H,1-5,7H2.
What are the key properties of 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol?
4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol has a molecular weight of 208.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-ylmethyl)pyrimidin-5-ol is sourced from PubChem (CID 112713639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).