2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine

C17H28N4O2 — CID 97044604

IUPAC2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C[C@@H]2CCOC2)nc1N(C)C[C@@H]1CCOC1
InChIInChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyNXABCJIKYMXGGR-GJZGRUSLSA-N
MW320.44 g/mol
LogP1.73
Rot. Bonds6

About 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 97044604) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID97044604
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C[C@@H]2CCOC2)nc1N(C)C[C@@H]1CCOC1
InChIInChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyNXABCJIKYMXGGR-GJZGRUSLSA-N
XLogP1.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 83179651
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80631209

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine (CID 97044604) is 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine is Cc1cnc(N(C)C[C@@H]2CCOC2)nc1N(C)C[C@@H]1CCOC1.
What is the InChIKey of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is NXABCJIKYMXGGR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-8-18-17(21(3)10-15-5-7-23-12-15)19-16(13)20(2)9-14-4-6-22-11-14/h8,14-15H,4-7,9-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 320.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97044604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).