N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide

C14H20N4O4 — CID 175959015

IUPACN-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
SMILESCCNc1ccnc(NC(=O)C2OCC3OC(C)(C)OC32)n1
InChIInChI=1S/C14H20N4O4/c1-4-15-9-5-6-16-13(17-9)18-12(19)11-10-8(7-20-11)21-14(2,3)22-10/h5-6,8,10-11H,4,7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyAYGWGAMYMPYRKC-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.77
Rot. Bonds4

About N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide

N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide (PubChem CID 175959015) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
PubChem CID175959015
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC NameN-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
SMILESCCNc1ccnc(NC(=O)C2OCC3OC(C)(C)OC32)n1
InChIInChI=1S/C14H20N4O4/c1-4-15-9-5-6-16-13(17-9)18-12(19)11-10-8(7-20-11)21-14(2,3)22-10/h5-6,8,10-11H,4,7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyAYGWGAMYMPYRKC-UHFFFAOYSA-N
XLogP0.77
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide?
The IUPAC name of N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide (CID 175959015) is N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide.
What is the SMILES notation for N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide?
The canonical SMILES for N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide is CCNc1ccnc(NC(=O)C2OCC3OC(C)(C)OC32)n1.
What is the InChIKey of N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide?
The InChIKey is AYGWGAMYMPYRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-4-15-9-5-6-16-13(17-9)18-12(19)11-10-8(7-20-11)21-14(2,3)22-10/h5-6,8,10-11H,4,7H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide?
N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)pyrimidin-2-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide is sourced from PubChem (CID 175959015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).