[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine

C15H17N5O — CID 57391918

IUPAC[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1
InChIInChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)
InChIKeyYHCVVHVXQWXBAU-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.27
Rot. Bonds2

About [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine

[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine (PubChem CID 57391918) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
PubChem CID57391918
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1
InChIInChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)
InChIKeyYHCVVHVXQWXBAU-UHFFFAOYSA-N
XLogP1.27
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine (CID 57391918) is [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine is NCC1CN(c2ncnc3[nH]c4ccccc4c23)CCO1.
What is the InChIKey of [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The InChIKey is YHCVVHVXQWXBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19).
What are the key properties of [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
[4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 57391918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).