4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

C16H26N4O2 — CID 75524460

IUPAC4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NC(C)C2CCCO2)ncn1)C1CCCO1
InChIInChI=1S/C16H26N4O2/c1-11(13-5-3-7-21-13)19-15-9-16(18-10-17-15)20-12(2)14-6-4-8-22-14/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNVPULYKGDSWTSO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.44
Rot. Bonds6

About 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 75524460) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID75524460
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NC(C)C2CCCO2)ncn1)C1CCCO1
InChIInChI=1S/C16H26N4O2/c1-11(13-5-3-7-21-13)19-15-9-16(18-10-17-15)20-12(2)14-6-4-8-22-14/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNVPULYKGDSWTSO-UHFFFAOYSA-N
XLogP2.44
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 75524460) is 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(NC(C)C2CCCO2)ncn1)C1CCCO1.
What is the InChIKey of 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is NVPULYKGDSWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(13-5-3-7-21-13)19-15-9-16(18-10-17-15)20-12(2)14-6-4-8-22-14/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 75524460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).