4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one

C19H24N4O2 — CID 11484586

IUPAC4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one
SMILESCCC(C)Nc1nc(=O)nc2oc3cc(N(CC)CC)ccc3cc1-2
InChIInChI=1S/C19H24N4O2/c1-5-12(4)20-17-15-10-13-8-9-14(23(6-2)7-3)11-16(13)25-18(15)22-19(24)21-17/h8-12H,5-7H2,1-4H3,(H,20,21,24)
InChIKeyNMDDDDUWCUHLBA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.74
Rot. Bonds6

About 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one

4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one (PubChem CID 11484586) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one
PubChem CID11484586
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one
SMILESCCC(C)Nc1nc(=O)nc2oc3cc(N(CC)CC)ccc3cc1-2
InChIInChI=1S/C19H24N4O2/c1-5-12(4)20-17-15-10-13-8-9-14(23(6-2)7-3)11-16(13)25-18(15)22-19(24)21-17/h8-12H,5-7H2,1-4H3,(H,20,21,24)
InChIKeyNMDDDDUWCUHLBA-UHFFFAOYSA-N
XLogP3.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one (CID 11484586) is 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one is CCC(C)Nc1nc(=O)nc2oc3cc(N(CC)CC)ccc3cc1-2.
What is the InChIKey of 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one?
The InChIKey is NMDDDDUWCUHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-12(4)20-17-15-10-13-8-9-14(23(6-2)7-3)11-16(13)25-18(15)22-19(24)21-17/h8-12H,5-7H2,1-4H3,(H,20,21,24).
What are the key properties of 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one?
4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-8-(diethylamino)chromeno[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11484586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).