4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C14H22N4O2 — CID 112857188

IUPAC4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1nc(NCC2CCCO2)cc(NCC2CCCO2)n1
InChIInChI=1S/C14H22N4O2/c1-3-11(19-5-1)8-15-13-7-14(18-10-17-13)16-9-12-4-2-6-20-12/h7,10-12H,1-6,8-9H2,(H2,15,16,17,18)
InChIKeyMNYDEQAQEJPJAY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.66
Rot. Bonds6

About 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112857188) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112857188
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1nc(NCC2CCCO2)cc(NCC2CCCO2)n1
InChIInChI=1S/C14H22N4O2/c1-3-11(19-5-1)8-15-13-7-14(18-10-17-13)16-9-12-4-2-6-20-12/h7,10-12H,1-6,8-9H2,(H2,15,16,17,18)
InChIKeyMNYDEQAQEJPJAY-UHFFFAOYSA-N
XLogP1.66
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112857188) is 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is c1nc(NCC2CCCO2)cc(NCC2CCCO2)n1.
What is the InChIKey of 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MNYDEQAQEJPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11(19-5-1)8-15-13-7-14(18-10-17-13)16-9-12-4-2-6-20-12/h7,10-12H,1-6,8-9H2,(H2,15,16,17,18).
What are the key properties of 4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.66, 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(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).