[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone

C19H21N5O2 — CID 97407155

IUPAC[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1c2c(NCC3CC3)ncnc2n2ccccc12)N1CCOCC1
InChIInChI=1S/C19H21N5O2/c25-19(23-7-9-26-10-8-23)15-14-3-1-2-6-24(14)18-16(15)17(21-12-22-18)20-11-13-4-5-13/h1-3,6,12-13H,4-5,7-11H2,(H,20,21,22)
InChIKeyHOSKYYZUXCKQLX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.18
Rot. Bonds4

About [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone

[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone (PubChem CID 97407155) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone
PubChem CID97407155
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1c2c(NCC3CC3)ncnc2n2ccccc12)N1CCOCC1
InChIInChI=1S/C19H21N5O2/c25-19(23-7-9-26-10-8-23)15-14-3-1-2-6-24(14)18-16(15)17(21-12-22-18)20-11-13-4-5-13/h1-3,6,12-13H,4-5,7-11H2,(H,20,21,22)
InChIKeyHOSKYYZUXCKQLX-UHFFFAOYSA-N
XLogP2.18
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone (CID 97407155) is [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone is O=C(c1c2c(NCC3CC3)ncnc2n2ccccc12)N1CCOCC1.
What is the InChIKey of [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is HOSKYYZUXCKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(23-7-9-26-10-8-23)15-14-3-1-2-6-24(14)18-16(15)17(21-12-22-18)20-11-13-4-5-13/h1-3,6,12-13H,4-5,7-11H2,(H,20,21,22).
What are the key properties of [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone?
[4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)pyrimido[5,4-b]indolizin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97407155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).