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

C15H17N5O — CID 25222318

IUPAC[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(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)/t10-/m0/s1
InChIKeyYHCVVHVXQWXBAU-JTQLQIEISA-N
MW283.33 g/mol
LogP1.27
Rot. Bonds2

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

[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine (PubChem CID 25222318) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
PubChem CID25222318
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(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)/t10-/m0/s1
InChIKeyYHCVVHVXQWXBAU-JTQLQIEISA-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 [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine (CID 25222318) is [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine is NC[C@H]1CN(c2ncnc3[nH]c4ccccc4c23)CCO1.
What is the InChIKey of [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
The InChIKey is YHCVVHVXQWXBAU-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine?
[(2S)-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 [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 25222318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).