N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide

C19H26N6O4 — CID 55339130

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCNC(=O)Nc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-3-4-12-25-16(20)15(17(27)23-19(25)29)24(2)14(26)10-11-21-18(28)22-13-8-6-5-7-9-13/h5-9H,3-4,10-12,20H2,1-2H3,(H2,21,22,28)(H,23,27,29)
InChIKeyRURCRGFKICQSQZ-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.09
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide (PubChem CID 55339130) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
PubChem CID55339130
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
SMILESCCCCn1c(N)c(N(C)C(=O)CCNC(=O)Nc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-3-4-12-25-16(20)15(17(27)23-19(25)29)24(2)14(26)10-11-21-18(28)22-13-8-6-5-7-9-13/h5-9H,3-4,10-12,20H2,1-2H3,(H2,21,22,28)(H,23,27,29)
InChIKeyRURCRGFKICQSQZ-UHFFFAOYSA-N
XLogP1.09
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide (CID 55339130) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide is CCCCn1c(N)c(N(C)C(=O)CCNC(=O)Nc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide?
The InChIKey is RURCRGFKICQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-3-4-12-25-16(20)15(17(27)23-19(25)29)24(2)14(26)10-11-21-18(28)22-13-8-6-5-7-9-13/h5-9H,3-4,10-12,20H2,1-2H3,(H2,21,22,28)(H,23,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide has a molecular weight of 402.46 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55339130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).